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

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(cyclohexylcarbamoyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C20H26N6O2S/c1-13(18(27)23-19(28)22-15-5-3-2-4-6-15)29-20-25-24-17(26(20)16-7-8-16)14-9-11-21-12-10-14/h9-13,15-16H,2-8H2,1H3,(H2,22,23,27,28)/t13-/m1/s1