(2-bromophenyl)-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]methanone

Systemtic Name: (2-bromophenyl)-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]methanone Openeye Name: (3-benzylsulfanyl-1,2,4-triazol-1-yl)-(2-bromophenyl)methanone CAS Name: (2-bromophenyl)-[3-(phenylmethylthio)-1,2,4-triazol-1-yl]methanone IUPAC Name: (3-benzylsulfanyl-1,2,4-triazol-1-yl)-(2-bromophenyl)methanone Traditional Name: [3-(benzylthio)-1,2,4-triazol-1-yl]-(2-bromophenyl)methanone Formula: C16H12BrN3OS MolecularWeight: 374.25498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C=N2)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C=N2)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C16H12BrN3OS/c17-14-9-5-4-8-13(14)15(21)20-11-18-16(19-20)22-10-12-6-2-1-3-7-12/h1-9,11H,10H2