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

Systemtic Name: 2-azanyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-methylsulfanylphenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[4-(methylthio)phenyl]-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-methylsulfanylphenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-4-[4-(methylthio)phenyl]-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NC=NN4)N)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NC=NN4)N)C#N

InChI

InChI=1S/C19H18N6OS/c1-27-12-7-5-11(6-8-12)16-13(9-20)18(21)25(19-22-10-23-24-19)14-3-2-4-15(26)17(14)16/h5-8,10,16H,2-4,21H2,1H3,(H,22,23,24)