(2S)-N-(4-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C20H21N5OS/c1-4-13-25-18(16-9-11-21-12-10-16)23-24-20(25)27-15(3)19(26)22-17-7-5-14(2)6-8-17/h4-12,15H,1,13H2,2-3H3,(H,22,26)/t15-/m0/s1