(2R)-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile

Systemtic Name: (2R)-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile Openeye Name: (2R)-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile CAS Name: (2R)-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-3-phenylpropanenitrile IUPAC Name: (2R)-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanenitrile Traditional Name: (2R)-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-3-phenyl-propionitrile Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SC(CC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)S[C@H](CC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H26N4OS/c1-29-22-15-9-8-14-21(22)23-26-27-24(28(23)19-12-6-3-7-13-19)30-20(17-25)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19-20H,3,6-7,12-13,16H2,1H3/t20-/m1/s1