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

Systemtic Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(diphenylmethyl)ethanamide Openeye Name: N-benzhydryl-2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(diphenylmethyl)acetamide IUPAC Name: N-benzhydryl-2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzhydryl-2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C29H23BrN4OS MolecularWeight: 555.48812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C29H23BrN4OS/c30-24-16-10-15-23(19-24)28-32-33-29(34(28)25-17-8-3-9-18-25)36-20-26(35)31-27(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-19,27H,20H2,(H,31,35)