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

Systemtic Name: 1-(4-butylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-butylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-butylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-butylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-butylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3CC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3CC3

InChI

InChI=1S/C17H21N3OS/c1-2-3-4-12-5-7-13(8-6-12)15(21)11-22-17-18-16(19-20-17)14-9-10-14/h5-8,14H,2-4,9-11H2,1H3,(H,18,19,20)