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

Systemtic Name: 4-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[4-(4-ethoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 1-phenyl-4-[[4-p-phenetyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H24N4O2S/c1-2-31-22-12-10-21(11-13-22)29-24(20-14-16-26-17-15-20)27-28-25(29)32-18-6-9-23(30)19-7-4-3-5-8-19/h3-5,7-8,10-17H,2,6,9,18H2,1H3