3-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]methyl]benzonitrile IUPAC Name: 3-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(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=CC(=C4)C#N

Isomeric SMILES

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

InChI

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