4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]methyl]benzonitrile IUPAC Name: 4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]methyl]benzonitrile Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H22N4O3S2/c1-2-25-20-8-7-18(30(26,27)24-9-11-28-12-10-24)13-19(20)23-21(25)29-15-17-5-3-16(14-22)4-6-17/h3-8,13H,2,9-12,15H2,1H3