6-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-[(4-chlorobenzyl)thio]-4-keto-1H-pyrimidine-5-carbonitrile Formula: C19H12ClN3O3S MolecularWeight: 397.83488

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N=C(N3)SCC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N=C(N3)SCC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C19H12ClN3O3S/c20-13-4-1-11(2-5-13)9-27-19-22-17(14(8-21)18(24)23-19)12-3-6-15-16(7-12)26-10-25-15/h1-7H,9-10H2,(H,22,23,24)