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

Systemtic Name: 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-bromophenyl)acetamide Formula: C16H14BrN5OS MolecularWeight: 404.28426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H14BrN5OS/c17-12-7-4-8-13(9-12)19-14(23)10-24-16-21-20-15(22(16)18)11-5-2-1-3-6-11/h1-9H,10,18H2,(H,19,23)