3-(3,4-dimethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-(3,4-dimethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(3,4-dimethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(3,4-dimethylphenyl)-5-[(3-nitrophenyl)methylthio]-6-phenyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 3-(3,4-dimethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(3,4-dimethylphenyl)-5-[(3-nitrobenzyl)thio]-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C26H20N4O3S3 MolecularWeight: 532.657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)SC2=S)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)SC2=S)C

InChI

InChI=1S/C26H20N4O3S3/c1-16-11-12-20(13-17(16)2)28-23-22(36-26(28)34)24(31)29(19-8-4-3-5-9-19)25(27-23)35-15-18-7-6-10-21(14-18)30(32)33/h3-14H,15H2,1-2H3