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

Systemtic Name: 4-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCC(=O)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCC(=O)C)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4OS/c1-13-6-3-4-8-16(13)22-17(15-7-5-10-19-12-15)20-21-18(22)24-11-9-14(2)23/h3-8,10,12H,9,11H2,1-2H3