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

Systemtic Name: 3-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H27N3OS/c1-5-6-7-19-10-14-21(15-11-19)26-22(20-12-8-16(2)9-13-20)24-25-23(26)28-18(4)17(3)27/h8-15,18H,5-7H2,1-4H3