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

Systemtic Name: (2R)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[5-(3-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(=CC=C2)OC

Isomeric SMILES

CN1C(=NN=C1SC[C@H](CCC#N)C#N)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H17N5OS/c1-21-15(13-6-3-7-14(9-13)22-2)19-20-16(21)23-11-12(10-18)5-4-8-17/h3,6-7,9,12H,4-5,11H2,1-2H3/t12-/m1/s1