2-azanyl-4-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1-[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H29N5O3S2 MolecularWeight: 511.65946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)CC(C3)(C)C

Isomeric SMILES

CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)CC(C3)(C)C

InChI

InChI=1S/C25H29N5O3S2/c1-13(2)34-24-29-28-23(35-24)30-16-10-25(3,4)11-17(31)21(16)20(15(12-26)22(30)27)14-7-8-18(32-5)19(9-14)33-6/h7-9,13,20H,10-11,27H2,1-6H3