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

Systemtic Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C19H16N6S MolecularWeight: 360.43554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(CCC#N)C#N)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(CCC#N)C#N)C3=CN=CC=C3

InChI

InChI=1S/C19H16N6S/c20-10-4-6-15(12-21)14-26-19-24-23-18(16-7-5-11-22-13-16)25(19)17-8-2-1-3-9-17/h1-3,5,7-9,11,13,15H,4,6,14H2