1-(azepan-1-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCCCCC3

InChI

InChI=1S/C17H22N4OS/c1-13-7-6-8-14(11-13)16-18-19-17(23)21(16)12-15(22)20-9-4-2-3-5-10-20/h6-8,11H,2-5,9-10,12H2,1H3,(H,19,23)