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

Systemtic Name: (2S)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(2-isopropylphenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-o-cumenyl-propionamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5OS/c1-13(2)16-7-5-6-8-17(16)22-19(26)14(3)27-20-24-23-18(25(20)4)15-9-11-21-12-10-15/h5-14H,1-4H3,(H,22,26)/t14-/m0/s1