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

Systemtic Name: 2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-amino-5-(3-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=C3)Br)C#N

Isomeric SMILES

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

InChI

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