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

Systemtic Name: (2R)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(CCC#N)C#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SC[C@H](CCC#N)C#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H21N5OS/c1-13(2)23-17(15-6-8-16(24-3)9-7-15)21-22-18(23)25-12-14(11-20)5-4-10-19/h6-9,13-14H,4-5,12H2,1-3H3/t14-/m1/s1