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

Systemtic Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C18H23N3OS/c1-12-19-20-17(21(12)15-9-10-15)23-11-16(22)13-5-7-14(8-6-13)18(2,3)4/h5-8,15H,9-11H2,1-4H3