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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C16H12BrN5S MolecularWeight: 386.26898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(N2N)C3=CC=CC=C3Br)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(N2N)C3=CC=CC=C3Br)C#N

InChI

InChI=1S/C16H12BrN5S/c17-14-8-4-3-7-13(14)15-20-21-16(22(15)19)23-10-12-6-2-1-5-11(12)9-18/h1-8H,10,19H2