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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NNC2=S)CC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)CC(=O)NC3=CC(=CC=C3)Br

InChI

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