2-azanyl-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-5-oxidanylidene-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-5-oxidanylidene-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(5-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-7,7-dimethyl-5-oxo-1-[5-(propan-2-ylthio)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C28H31N7OS2 MolecularWeight: 545.72204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=NN=C(S5)SC(C)C)N)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=NN=C(S5)SC(C)C)N)C#N

InChI

InChI=1S/C28H31N7OS2/c1-15(2)37-27-32-31-26(38-27)34-20-12-28(5,6)13-21(36)24(20)23(19(14-29)25(34)30)22-16(3)33-35(17(22)4)18-10-8-7-9-11-18/h7-11,15,23H,12-13,30H2,1-6H3