N-[[5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)hydrazinylidene]-1,3-thiazol-2-ylidene]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)hydrazinylidene]-1,3-thiazol-2-ylidene]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)hydrazono]thiazol-2-ylidene]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)hydrazinylidene]-2-thiazolylidene]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]-1,3-thiazol-2-ylidene]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)hydrazono]-3-thiazolin-2-ylidene]thiocarbamoyl]-3-nitro-benzamide Formula: C22H18N8O4S2 MolecularWeight: 522.55952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C3C=NC(=NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])S3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C3C=NC(=NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])S3

InChI

InChI=1S/C22H18N8O4S2/c1-13-18(20(32)29(28(13)2)15-8-4-3-5-9-15)27-26-17-12-23-22(36-17)25-21(35)24-19(31)14-7-6-10-16(11-14)30(33)34/h3-12,27H,1-2H3,(H,24,31,35)