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

Systemtic Name: 1-(4-tert-butylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C23H25N3OS/c1-23(2,3)18-13-11-16(12-14-18)20(27)15-28-22-25-24-21(17-9-10-17)26(22)19-7-5-4-6-8-19/h4-8,11-14,17H,9-10,15H2,1-3H3