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

Systemtic Name: 4-oxidanylidene-6-phenyl-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylsulfanyl]-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-phenyl-2-[(2-thioxo-1,3-benzothiazol-3-yl)methylsulfanyl]-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-6-phenyl-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylthio]-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-6-phenyl-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylsulfanyl]-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-phenyl-2-[(2-thioxo-1,3-benzothiazol-3-yl)methylthio]-1H-pyrimidine-5-carbonitrile Formula: C19H12N4OS3 MolecularWeight: 408.51978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12N4OS3/c20-10-13-16(12-6-2-1-3-7-12)21-18(22-17(13)24)26-11-23-14-8-4-5-9-15(14)27-19(23)25/h1-9H,11H2,(H,21,22,24)