2-[[1-[(2,5-dimethylphenyl)methyl]-5,6-dimethyl-benzimidazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[1-[(2,5-dimethylphenyl)methyl]-5,6-dimethyl-benzimidazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[1-[(2,5-dimethylphenyl)methyl]-5,6-dimethyl-benzimidazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[1-[(2,5-dimethylphenyl)methyl]-5,6-dimethyl-2-benzimidazolyl]thio]methyl]benzonitrile IUPAC Name: 2-[[1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[1-(2,5-dimethylbenzyl)-5,6-dimethyl-benzimidazol-2-yl]thio]methyl]benzonitrile Formula: C26H25N3S MolecularWeight: 411.5618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=C(C(=C3)C)C)N=C2SCC4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=C(C(=C3)C)C)N=C2SCC4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3S/c1-17-9-10-18(2)23(11-17)15-29-25-13-20(4)19(3)12-24(25)28-26(29)30-16-22-8-6-5-7-21(22)14-27/h5-13H,15-16H2,1-4H3