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

Systemtic Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-phenyl-1-butanone IUPAC Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-phenyl-butan-1-one Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3OS/c1-22-18(16-11-6-3-7-12-16)20-21-19(22)24-14-8-13-17(23)15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3