3-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(4-oxidanylcyclohexyl)-2-sulfanylidene-benzimidazole-5-carbonitrile

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(4-oxidanylcyclohexyl)-2-sulfanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)methyl]-1-(4-hydroxycyclohexyl)-2-thioxo-benzimidazole-5-carbonitrile CAS Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-sulfanylidene-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-sulfanylidenebenzimidazole-5-carbonitrile Traditional Name: 3-(3-chloro-4-methoxy-benzyl)-1-(4-hydroxycyclohexyl)-2-thioxo-benzimidazole-5-carbonitrile Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=S)C4CCC(CC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=S)C4CCC(CC4)O)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-28-21-9-3-15(10-18(21)23)13-25-20-11-14(12-24)2-8-19(20)26(22(25)29)16-4-6-17(27)7-5-16/h2-3,8-11,16-17,27H,4-7,13H2,1H3