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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-bromophenyl)phenyl]ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-bromophenyl)phenyl]ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[4-(4-bromophenyl)phenyl]ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-bromophenyl)phenyl]ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[4-(4-bromophenyl)phenyl]ethanone Formula: C16H13BrN4OS MolecularWeight: 389.26962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C16H13BrN4OS/c17-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(22)9-23-16-19-15(18)20-21-16/h1-8H,9H2,(H3,18,19,20,21)