5-butylsulfanyl-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-butylsulfanyl-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-butylsulfanyl-3-(o-tolyl)-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(butylthio)-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 5-butylsulfanyl-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(butylthio)-3-(o-tolyl)-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C22H21N3OS3 MolecularWeight: 439.61664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SC(=S)N2C4=CC=CC=C4C

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SC(=S)N2C4=CC=CC=C4C

InChI

InChI=1S/C22H21N3OS3/c1-3-4-14-28-21-23-19-18(20(26)24(21)16-11-6-5-7-12-16)29-22(27)25(19)17-13-9-8-10-15(17)2/h5-13H,3-4,14H2,1-2H3