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

Systemtic Name: 1-[4-methoxy-3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2C)C3=CN=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2C)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-12(23)13-6-7-16(24-3)15(9-13)11-25-18-21-20-17(22(18)2)14-5-4-8-19-10-14/h4-10H,11H2,1-3H3