2-azanyl-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-7,7-dimethyl-4-[4-(methylthio)phenyl]-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-7,7-dimethyl-4-[4-(methylthio)phenyl]-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC=C(C=C4)SC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC=C(C=C4)SC)C(=O)C1)C

InChI

InChI=1S/C21H22N6OS/c1-21(2)8-15-18(16(28)9-21)17(12-4-6-13(29-3)7-5-12)14(10-22)19(23)27(15)20-24-11-25-26-20/h4-7,11,17H,8-9,23H2,1-3H3,(H,24,25,26)