1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(1-benzyl-5-chloro-benzimidazol-2-yl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[(1-benzyl-5-chloro-benzimidazol-2-yl)methyl]-1,2,4-triazole-3-carbonitrile Formula: C18H13ClN6 MolecularWeight: 348.78902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2CN4C=NC(=N4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2CN4C=NC(=N4)C#N

InChI

InChI=1S/C18H13ClN6/c19-14-6-7-16-15(8-14)22-18(11-24-12-21-17(9-20)23-24)25(16)10-13-4-2-1-3-5-13/h1-8,12H,10-11H2