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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC(=O)C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCCCC(=O)C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4OS/c1-22-17(15-9-11-19-12-10-15)20-21-18(22)24-13-5-8-16(23)14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3