4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C12H11BrN4S MolecularWeight: 323.21154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN4S/c13-10-6-2-1-5-9(10)11-15-12(17-16-11)18-8-4-3-7-14/h1-2,5-6H,3-4,8H2,(H,15,16,17)