N-(2-oxidanylidenecyclohexyl)carbothioyl-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-oxidanylidenecyclohexyl)carbothioyl-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-(2-oxocyclohexanecarbothioyl)-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[(2-oxocyclohexyl)-sulfanylidenemethyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-oxocyclohexanecarbothioyl)-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-(2-ketocyclohexanecarbothioyl)-1,3-diphenyl-pyrazole-4-carboxamide Formula: C23H21N3O2S MolecularWeight: 403.49674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(=S)NC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)C(C1)C(=S)NC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c27-20-14-8-7-13-18(20)23(29)24-22(28)19-15-26(17-11-5-2-6-12-17)25-21(19)16-9-3-1-4-10-16/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,28,29)