3-[[1,5-bis-(diphenylmethyl)oxy-4-oxidanylidene-pyridin-2-yl]methylsulfanyl]-5-sulfanylidene-2H-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-[[1,5-bis-(diphenylmethyl)oxy-4-oxidanylidene-pyridin-2-yl]methylsulfanyl]-5-sulfanylidene-2H-1,2-thiazole-4-carbonitrile Openeye Name: 3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridyl)methylsulfanyl]-5-thioxo-2H-isothiazole-4-carbonitrile CAS Name: 3-[[1,5-bis-(diphenylmethyl)oxy-4-oxo-2-pyridinyl]methylthio]-5-sulfanylidene-2H-isothiazole-4-carbonitrile IUPAC Name: 3-[(1,5-dibenzhydryloxy-4-oxopyridin-2-yl)methylsulfanyl]-5-sulfanylidene-2H-1,2-thiazole-4-carbonitrile Traditional Name: 3-[(1,5-dibenzhydryloxy-4-keto-2-pyridyl)methylthio]-5-thioxo-3-isothiazoline-4-carbonitrile Formula: C36H27N3O3S3 MolecularWeight: 645.81288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=CN(C(=CC3=O)CSC4=C(C(=S)SN4)C#N)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=CN(C(=CC3=O)CSC4=C(C(=S)SN4)C#N)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H27N3O3S3/c37-22-30-35(38-45-36(30)43)44-24-29-21-31(40)32(41-33(25-13-5-1-6-14-25)26-15-7-2-8-16-26)23-39(29)42-34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-21,23,33-34,38H,24H2