N-butyl-N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-butyl-N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-butyl-N-methyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-butyl-N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-butyl-N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-butyl-N-methyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCN(C)C(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C

InChI

InChI=1S/C16H22N4OS/c1-4-5-9-19(3)14(21)11-20-15(17-18-16(20)22)13-8-6-7-12(2)10-13/h6-8,10H,4-5,9,11H2,1-3H3,(H,18,22)