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

Systemtic Name: (2R)-N-(cyclohexylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(cyclohexylmethyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(cyclohexylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(cyclohexylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(cyclohexylmethyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C17H23N5OS/c1-12(16(23)19-11-13-5-3-2-4-6-13)24-17-20-15(21-22-17)14-7-9-18-10-8-14/h7-10,12-13H,2-6,11H2,1H3,(H,19,23)(H,20,21,22)/t12-/m1/s1