6-butyl-5-phenacylsulfanyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 6-butyl-5-phenacylsulfanyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-butyl-5-phenacylsulfanyl-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 6-butyl-5-(phenacylthio)-3-phenethyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 6-butyl-5-phenacylsulfanyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-butyl-5-(phenacylthio)-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C25H25N3O2S3 MolecularWeight: 495.6799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=S)S2)CCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=S)S2)CCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S3/c1-2-3-15-28-23(30)21-22(26-24(28)32-17-20(29)19-12-8-5-9-13-19)27(25(31)33-21)16-14-18-10-6-4-7-11-18/h4-13H,2-3,14-17H2,1H3