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

Systemtic Name: 4-methyl-2-[(5-oxidanylidene-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline-3-carbonitrile Openeye Name: 4-methyl-2-[(5-oxo-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline-3-carbonitrile CAS Name: 4-methyl-2-[(5-oxo-4-pentyl-1H-1,2,4-triazol-3-yl)thio]-3-quinolinecarbonitrile IUPAC Name: 4-methyl-2-[(5-oxo-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline-3-carbonitrile Traditional Name: 2-[(4-amyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-4-methyl-quinoline-3-carbonitrile Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)NN=C1SC2=NC3=CC=CC=C3C(=C2C#N)C

Isomeric SMILES

CCCCCN1C(=O)NN=C1SC2=NC3=CC=CC=C3C(=C2C#N)C

InChI

InChI=1S/C18H19N5OS/c1-3-4-7-10-23-17(24)21-22-18(23)25-16-14(11-19)12(2)13-8-5-6-9-15(13)20-16/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,21,24)