2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C19H24N6O2S MolecularWeight: 400.49786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C19H24N6O2S/c1-4-5-11-24-18(27)21-22-19(24)28-12-16(26)20-17-13(2)23-25(14(17)3)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3,(H,20,26)(H,21,27)