2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-[2,6-bis(chloranyl)phenyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-[2,6-bis(chloranyl)phenyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(2,6-dichlorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-(2,6-dichlorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(2,6-dichlorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-(2,6-dichlorophenyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C19H11Cl2N5OS MolecularWeight: 428.29454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NC(=O)C(=C(N3)C4=C(C=CC=C4Cl)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NC(=O)C(=C(N3)C4=C(C=CC=C4Cl)Cl)C#N

InChI

InChI=1S/C19H11Cl2N5OS/c20-11-4-3-5-12(21)16(11)17-10(8-22)18(27)26-19(25-17)28-9-15-23-13-6-1-2-7-14(13)24-15/h1-7H,9H2,(H,23,24)(H,25,26,27)