N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-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-[(1S)-1-benzyl-2-oxo-propyl]acetamide CAS Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-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-[(1S)-1-benzyl-2-keto-propyl]acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C22H23N5O2S/c1-3-13-27-21(18-9-11-23-12-10-18)25-26-22(27)30-15-20(29)24-19(16(2)28)14-17-7-5-4-6-8-17/h3-12,19H,1,13-15H2,2H3,(H,24,29)/t19-/m0/s1