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

Systemtic Name: 3-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H19N3O2S/c1-13(23)14(2)25-19-21-20-18(15-8-7-11-17(12-15)24-3)22(19)16-9-5-4-6-10-16/h4-12,14H,1-3H3