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

Systemtic Name: N-(4-bromophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H13BrN4OS MolecularWeight: 389.26962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN4OS/c17-12-6-8-13(9-7-12)19-15(22)10-23-16-20-18-11-21(16)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,22)