2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C19H13N5OS MolecularWeight: 359.40442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=NC4=CC=CC=C4N3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C19H13N5OS/c20-10-13-17(12-6-2-1-3-7-12)23-19(24-18(13)25)26-11-16-21-14-8-4-5-9-15(14)22-16/h1-9H,11H2,(H,21,22)(H,23,24,25)