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

Systemtic Name: 4-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[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(=CC(=C1)Br)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

InChI

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