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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H11BrN4S MolecularWeight: 371.25434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=CC=C3Br

InChI

InChI=1S/C16H11BrN4S/c17-14-9-5-4-8-13(14)15-19-20-16(22-11-10-18)21(15)12-6-2-1-3-7-12/h1-9H,11H2