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

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(1-tert-butyltetrazol-5-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:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C(C)(C)C

InChI

InChI=1S/C18H23N7O2S/c1-12-15(16(27)24(23(12)5)13-9-7-6-8-10-13)19-14(26)11-28-17-20-21-22-25(17)18(2,3)4/h6-10H,11H2,1-5H3,(H,19,26)