5-methyl-3-oxidanylidene-2-[(Z)-[3-(4-oxidanylidenecyclohexa-1,5-dien-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-N-phenyl-pyrazole-1-carbothioamide

Systemtic Name: 5-methyl-3-oxidanylidene-2-[(Z)-[3-(4-oxidanylidenecyclohexa-1,5-dien-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-N-phenyl-pyrazole-1-carbothioamide Openeye Name: 5-methyl-3-oxo-2-[(Z)-[3-(4-oxocyclohexa-1,5-dien-1-yl)-2-thioxo-thiazolidin-5-ylidene]methyl]-N-phenyl-pyrazole-1-carbothioamide CAS Name: 5-methyl-3-oxo-2-[(Z)-[3-(4-oxo-1-cyclohexa-1,5-dienyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]-N-phenyl-1-pyrazolecarbothioamide IUPAC Name: 5-methyl-3-oxo-2-[(Z)-[3-(4-oxocyclohexa-1,5-dien-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-N-phenylpyrazole-1-carbothioamide Traditional Name: 3-keto-2-[(Z)-[3-(4-ketocyclohexa-1,5-dien-1-yl)-2-thioxo-thiazolidin-5-ylidene]methyl]-5-methyl-N-phenyl-3-pyrazoline-1-carbothioamide Formula: C21H18N4O2S3 MolecularWeight: 454.58822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C(=S)NC2=CC=CC=C2)C=C3CN(C(=S)S3)C4=CCC(=O)C=C4

Isomeric SMILES

CC1=CC(=O)N(N1C(=S)NC2=CC=CC=C2)/C=C\3/CN(C(=S)S3)C4=CCC(=O)C=C4

InChI

InChI=1S/C21H18N4O2S3/c1-14-11-19(27)24(25(14)20(28)22-15-5-3-2-4-6-15)13-18-12-23(21(29)30-18)16-7-9-17(26)10-8-16/h2-9,11,13H,10,12H2,1H3,(H,22,28)/b18-13-