2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile CAS Name: 2-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]pentanedinitrile IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]glutaronitrile Formula: C16H17N5S MolecularWeight: 311.40468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5S/c1-2-21-15(14-8-4-3-5-9-14)19-20-16(21)22-12-13(11-18)7-6-10-17/h3-5,8-9,13H,2,6-7,12H2,1H3