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

Systemtic Name: (2R)-N-cyclohexyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-cyclohexyl-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-cyclohexyl-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-cyclohexyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-cyclohexyl-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)SC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-16(21(28)24-18-10-4-2-5-11-18)29-22-26-25-20(17-9-8-14-23-15-17)27(22)19-12-6-3-7-13-19/h3,6-9,12-16,18H,2,4-5,10-11H2,1H3,(H,24,28)/t16-/m1/s1