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

Systemtic Name: N-(phenylcarbamoyl)-3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide Traditional Name: 3-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(phenylcarbamoyl)propionamide Formula: C23H21N5O2S2 MolecularWeight: 463.57514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCC(=O)NC(=O)NC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCC(=O)NC(=O)NC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H21N5O2S2/c29-20(25-22(30)24-18-10-5-2-6-11-18)13-15-32-23-27-26-21(19-12-7-14-31-19)28(23)16-17-8-3-1-4-9-17/h1-12,14H,13,15-16H2,(H2,24,25,29,30)