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

Systemtic Name: 2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[3-(4-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-phenyl-acetamide CAS Name: 2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenylacetamide IUPAC Name: 2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenylacetamide Traditional Name: 2-[3-(4-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-phenyl-acetamide Formula: C22H17BrN4OS MolecularWeight: 465.36558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H17BrN4OS/c23-17-13-11-16(12-14-17)21-25-26(15-20(28)24-18-7-3-1-4-8-18)22(29)27(21)19-9-5-2-6-10-19/h1-14H,15H2,(H,24,28)