2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C17H16BrN5S MolecularWeight: 402.31144

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(CCC#N)C#N)C2=CC=C(C=C2)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(CCC#N)C#N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H16BrN5S/c1-2-10-23-16(14-5-7-15(18)8-6-14)21-22-17(23)24-12-13(11-20)4-3-9-19/h2,5-8,13H,1,3-4,10,12H2