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

Systemtic Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]glutaronitrile Formula: C20H23N5S MolecularWeight: 365.49512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(CCC#N)C#N

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SC[C@H](CCC#N)C#N

InChI

InChI=1S/C20H23N5S/c21-13-7-8-16(14-22)15-26-20-23-19(17-9-3-1-4-10-17)25(24-20)18-11-5-2-6-12-18/h2,5-6,11-12,16-17H,1,3-4,7-10,15H2/t16-/m1/s1