5-methyl-3-oxidanylidene-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4-carbothioamide

Systemtic Name: 5-methyl-3-oxidanylidene-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4-carbothioamide Openeye Name: 5-methyl-3-oxo-N-phenyl-2-(4-phenylthiazol-2-yl)-1H-pyrazole-4-carbothioamide CAS Name: 5-methyl-3-oxo-N-phenyl-2-(4-phenyl-2-thiazolyl)-1H-pyrazole-4-carbothioamide IUPAC Name: 5-methyl-3-oxo-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4-carbothioamide Traditional Name: 5-keto-3-methyl-N-phenyl-1-(4-phenylthiazol-2-yl)-3-pyrazoline-4-carbothioamide Formula: C20H16N4OS2 MolecularWeight: 392.49724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C20H16N4OS2/c1-13-17(18(26)21-15-10-6-3-7-11-15)19(25)24(23-13)20-22-16(12-27-20)14-8-4-2-5-9-14/h2-12,23H,1H3,(H,21,26)