1-(4-methoxyphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(4-methoxyphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-methoxyphenyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-methoxyphenyl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-methoxyphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-methoxyphenyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NN=C(N2C)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NN=C(N2C)C3=CN=CC=C3

InChI

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