N-(4-bromophenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: N-(4-bromophenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)acetamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN4OS/c18-13-6-8-14(9-7-13)19-16(23)11-24-17-20-15(21-22-17)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H,20,21,22)