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

Systemtic Name: N-[(2-methylphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-(o-tolylmethyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(2-methylphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[(2-methylphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(2-methylbenzyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C17H18N4OS2/c1-12-5-2-3-6-13(12)11-18-15(22)8-9-21-16(19-20-17(21)23)14-7-4-10-24-14/h2-7,10H,8-9,11H2,1H3,(H,18,22)(H,20,23)