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

Systemtic Name: N-butyl-N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-butyl-N-methyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-butyl-N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-butyl-N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-butyl-N-methyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H24N4OS MolecularWeight: 332.46366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CCN1C(=NNC1=S)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCN(C)C(=O)CCN1C(=NNC1=S)C2=CC(=CC=C2)C

InChI

InChI=1S/C17H24N4OS/c1-4-5-10-20(3)15(22)9-11-21-16(18-19-17(21)23)14-8-6-7-13(2)12-14/h6-8,12H,4-5,9-11H2,1-3H3,(H,19,23)