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

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5O2S/c1-13(27)15-3-5-17(6-4-15)23-20(28)14(2)29-21-25-24-19(26(21)18-7-8-18)16-9-11-22-12-10-16/h3-6,9-12,14,18H,7-8H2,1-2H3,(H,23,28)/t14-/m1/s1