1-(4-methoxy-3-methyl-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methoxy-3-methyl-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-methyl-phenyl)ethanone CAS Name: 1-(4-methoxy-3-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-methoxy-3-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxy-3-methyl-phenyl)ethanone Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-4-11-24-19(15-7-9-21-10-8-15)22-23-20(24)27-13-17(25)16-5-6-18(26-3)14(2)12-16/h4-10,12H,1,11,13H2,2-3H3