3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C16H11BrN4S MolecularWeight: 371.25434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCC3=CC=CC(=C3)C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCC3=CC=CC(=C3)C#N)Br

InChI

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