(2R)-N-(4-propan-2-ylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(4-propan-2-ylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-isopropylphenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(4-propan-2-ylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-propan-2-ylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-p-cumenyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(C)C)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1S[C@H](C)C(=O)NC2=CC=C(C=C2)C(C)C)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5OS/c1-5-14-27-20(18-10-12-23-13-11-18)25-26-22(27)29-16(4)21(28)24-19-8-6-17(7-9-19)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,24,28)/t16-/m1/s1