5-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H10N4O4S3 MolecularWeight: 442.4914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C=C4C(=O)NC(=S)NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C=C4C(=O)NC(=S)NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C18H10N4O4S3/c23-15-10(16(24)21-17(27)20-15)7-9-5-6-14(12(8-9)22(25)26)29-18-19-11-3-1-2-4-13(11)28-18/h1-8H,(H2,20,21,23,24,27)