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

Systemtic Name: N-(phenylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-benzyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(phenylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-benzyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-benzyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4OS2/c21-14(17-11-12-5-2-1-3-6-12)8-9-20-15(18-19-16(20)22)13-7-4-10-23-13/h1-7,10H,8-9,11H2,(H,17,21)(H,19,22)