N-[(1R)-3-methyl-1-phenyl-butyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-3-methyl-1-phenyl-butyl]acetamide CAS Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1R)-3-methyl-1-phenyl-butyl]acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C23H27N5OS/c1-4-14-28-22(19-10-12-24-13-11-19)26-27-23(28)30-16-21(29)25-20(15-17(2)3)18-8-6-5-7-9-18/h4-13,17,20H,1,14-16H2,2-3H3,(H,25,29)/t20-/m1/s1