(2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-methylpropanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-propionamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H27N5OS/c1-16(20(28)26(2)22(15-23)13-7-4-8-14-22)29-21-25-24-19(17-11-12-17)27(21)18-9-5-3-6-10-18/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3/t16-/m1/s1