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

Systemtic Name: N-methyl-N-(phenylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-benzyl-N-methyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-methyl-N-(phenylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-benzyl-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-benzyl-N-methyl-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:

CN(CC1=CC=CC=C1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

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