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

Systemtic Name: 2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C18H23N7O2S MolecularWeight: 401.48592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCC1=NN=C(N1N)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C18H23N7O2S/c1-4-8-14-21-22-18(24(14)19)28-11-15(26)20-16-12(2)23(3)25(17(16)27)13-9-6-5-7-10-13/h5-7,9-10H,4,8,11,19H2,1-3H3,(H,20,26)