(2R)-N-(2-cyanophenyl)-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-N-(2-cyanophenyl)-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-N-(2-cyanophenyl)-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(2-cyanophenyl)-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-(2-cyanophenyl)-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2R)-N-(2-cyanophenyl)-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2C3CCCCC3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2C3CCCCC3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H29N5O3S/c1-17(25(32)28-21-12-8-7-9-19(21)16-27)35-26-30-29-24(31(26)20-10-5-4-6-11-20)18-13-14-22(33-2)23(15-18)34-3/h7-9,12-15,17,20H,4-6,10-11H2,1-3H3,(H,28,32)/t17-/m1/s1