6-(3-methoxyphenyl)-4-oxidanylidene-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylsulfanyl]-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-methoxyphenyl)-4-oxidanylidene-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylsulfanyl]-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-methoxyphenyl)-4-oxo-2-[(2-thioxo-1,3-benzothiazol-3-yl)methylsulfanyl]-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-methoxyphenyl)-4-oxo-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylthio]-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-methoxyphenyl)-4-oxo-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylsulfanyl]-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(3-methoxyphenyl)-2-[(2-thioxo-1,3-benzothiazol-3-yl)methylthio]-1H-pyrimidine-5-carbonitrile Formula: C20H14N4O2S3 MolecularWeight: 438.54576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCN3C4=CC=CC=C4SC3=S)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCN3C4=CC=CC=C4SC3=S)C#N

InChI

InChI=1S/C20H14N4O2S3/c1-26-13-6-4-5-12(9-13)17-14(10-21)18(25)23-19(22-17)28-11-24-15-7-2-3-8-16(15)29-20(24)27/h2-9H,11H2,1H3,(H,22,23,25)