(2R)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C23H29N5S MolecularWeight: 407.57486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC(CCC#N)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SC[C@H](CCC#N)C#N

InChI

InChI=1S/C23H29N5S/c1-23(2,3)19-12-10-18(11-13-19)21-26-27-22(28(21)20-8-4-5-9-20)29-16-17(15-25)7-6-14-24/h10-13,17,20H,4-9,16H2,1-3H3/t17-/m1/s1