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

Systemtic Name: 6-butyl-5-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-butyl-5-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 6-butyl-5-[(3-nitrophenyl)methylthio]-3-phenethyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 6-butyl-5-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-butyl-5-[(3-nitrobenzyl)thio]-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C24H24N4O3S3 MolecularWeight: 512.66736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC3=CC(=CC=C3)[N+](=O)[O-])N(C(=S)S2)CCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC3=CC(=CC=C3)[N+](=O)[O-])N(C(=S)S2)CCC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O3S3/c1-2-3-13-27-22(29)20-21(26(24(32)34-20)14-12-17-8-5-4-6-9-17)25-23(27)33-16-18-10-7-11-19(15-18)28(30)31/h4-11,15H,2-3,12-14,16H2,1H3