N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-3-(o-tolyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-(2-methylphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(1,1-diketothiolan-3-yl)-3-(o-tolyl)-1-phenyl-pyrazole-4-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c1-15-7-5-6-10-18(15)20-19(13-24(23-20)17-8-3-2-4-9-17)21(25)22-16-11-12-28(26,27)14-16/h2-10,13,16H,11-12,14H2,1H3,(H,22,25)