2-azanyl-4-(3-methoxyphenyl)-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-methoxyphenyl)-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-1-(5-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(3-methoxyphenyl)-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-methoxyphenyl)-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-1-[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]-5-keto-4-(3-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C24H27N5O2S2 MolecularWeight: 481.63348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2S2/c1-13(2)32-23-28-27-22(33-23)29-17-10-24(3,4)11-18(30)20(17)19(16(12-25)21(29)26)14-7-6-8-15(9-14)31-5/h6-9,13,19H,10-11,26H2,1-5H3