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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-chloranyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-chloro-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-chloro-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-chloro-6-phenyl-pyrimidine-5-carbonitrile Formula: C19H12ClN5S MolecularWeight: 377.85008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClN5S/c20-18-13(10-21)17(12-6-2-1-3-7-12)24-19(25-18)26-11-16-22-14-8-4-5-9-15(14)23-16/h1-9H,11H2,(H,22,23)