N-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide

Systemtic Name: N-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: N-[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]benzamide IUPAC Name: N-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide Traditional Name: N-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C22H18N4O2S2 MolecularWeight: 434.53392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H18N4O2S2/c27-19(23-21(28)17-10-5-2-6-11-17)15-30-22-25-24-20(18-12-7-13-29-18)26(22)14-16-8-3-1-4-9-16/h1-13H,14-15H2,(H,23,27,28)