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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=NC=C3

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4O2S/c1-13(23)9-12-25-18-21-20-17(14-7-10-19-11-8-14)22(18)15-3-5-16(24-2)6-4-15/h3-8,10-11H,9,12H2,1-2H3