4-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(1-hexyl-2-benzimidazolyl)thio]methyl]benzonitrile IUPAC Name: 4-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(1-hexylbenzimidazol-2-yl)thio]methyl]benzonitrile Formula: C21H23N3S MolecularWeight: 349.49242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3S/c1-2-3-4-7-14-24-20-9-6-5-8-19(20)23-21(24)25-16-18-12-10-17(15-22)11-13-18/h5-6,8-13H,2-4,7,14,16H2,1H3