1-(4-butylphenyl)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-butylphenyl)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-butylphenyl)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-butylphenyl)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-butylphenyl)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-butylphenyl)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H31N3OS/c1-6-7-8-18-9-11-19(12-10-18)22(29)17-30-24-27-26-23(28(24)5)20-13-15-21(16-14-20)25(2,3)4/h9-16H,6-8,17H2,1-5H3