2-[(4-cyclohexyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[(4-cyclohexyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-quinoline-3-carbonitrile Openeye Name: 2-[(4-cyclohexyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-quinoline-3-carbonitrile CAS Name: 2-[(4-cyclohexyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-4-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[(4-cyclohexyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-4-methylquinoline-3-carbonitrile Traditional Name: 2-[(4-cyclohexyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-4-methyl-quinoline-3-carbonitrile Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)SC3=NNC(=O)N3C4CCCCC4)C#N

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)SC3=NNC(=O)N3C4CCCCC4)C#N

InChI

InChI=1S/C19H19N5OS/c1-12-14-9-5-6-10-16(14)21-17(15(12)11-20)26-19-23-22-18(25)24(19)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,22,25)