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

Systemtic Name: 6-cyclohexyl-5-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-cyclohexyl-5-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 6-cyclohexyl-5-[(3-nitrophenyl)methylthio]-3-phenethyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 6-cyclohexyl-5-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-cyclohexyl-5-[(3-nitrobenzyl)thio]-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C26H26N4O3S3 MolecularWeight: 538.70464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])N(C(=S)S3)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])N(C(=S)S3)CCC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3S3/c31-24-22-23(28(26(34)36-22)15-14-18-8-3-1-4-9-18)27-25(29(24)20-11-5-2-6-12-20)35-17-19-10-7-13-21(16-19)30(32)33/h1,3-4,7-10,13,16,20H,2,5-6,11-12,14-15,17H2