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

Systemtic Name: (2S)-1-(4-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: (2S)-1-(4-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)propan-1-one Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4OS/c1-4-13-24-19(17-9-11-21-12-10-17)22-23-20(24)26-15(3)18(25)16-7-5-14(2)6-8-16/h4-12,15H,1,13H2,2-3H3/t15-/m0/s1