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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(1-phenyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(1-phenyltetrazol-5-yl)thio]propionamide Formula: C21H21N7O2S MolecularWeight: 435.50214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H21N7O2S/c1-14-18(20(30)28(26(14)3)17-12-8-5-9-13-17)22-19(29)15(2)31-21-23-24-25-27(21)16-10-6-4-7-11-16/h4-13,15H,1-3H3,(H,22,29)