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

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C21H26N6OS/c1-15(19(28)26(2)21(14-22)10-4-3-5-11-21)29-20-25-24-18(27(20)17-8-9-17)16-7-6-12-23-13-16/h6-7,12-13,15,17H,3-5,8-11H2,1-2H3/t15-/m1/s1