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

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

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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)N

Isomeric SMILES

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

InChI

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