2-[(3-cyanophenyl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(3-cyanophenyl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(3-cyanophenyl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(3-cyanophenyl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(3-cyanophenyl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(3-cyanobenzyl)thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H18N4O2S2/c1-2-8-22-17-7-6-15(26(20,23)24)10-16(17)21-18(22)25-12-14-5-3-4-13(9-14)11-19/h3-7,9-10H,2,8,12H2,1H3,(H2,20,23,24)