3-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-butylphenyl)-2-oxoethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2C3CC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C17H21N3O2S/c1-2-3-4-12-5-7-13(8-6-12)15(21)11-23-17-19-18-16(22)20(17)14-9-10-14/h5-8,14H,2-4,9-11H2,1H3,(H,18,22)