2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(CCC#N)C#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=NN=C1SCC(CCC#N)C#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H17N5OS/c1-21-15(13-5-7-14(22-2)8-6-13)19-20-16(21)23-11-12(10-18)4-3-9-17/h5-8,12H,3-4,11H2,1-2H3