(2S)-2-(5-bromanylthiophen-2-yl)sulfonyl-2-(1-methylbenzimidazol-2-yl)ethanenitrile

Systemtic Name: (2S)-2-(5-bromanylthiophen-2-yl)sulfonyl-2-(1-methylbenzimidazol-2-yl)ethanenitrile Openeye Name: (2S)-2-[(5-bromo-2-thienyl)sulfonyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile CAS Name: (2S)-2-[(5-bromo-2-thiophenyl)sulfonyl]-2-(1-methyl-2-benzimidazolyl)acetonitrile IUPAC Name: (2S)-2-(5-bromothiophen-2-yl)sulfonyl-2-(1-methylbenzimidazol-2-yl)acetonitrile Traditional Name: (2S)-2-[(5-bromo-2-thienyl)sulfonyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile Formula: C14H10BrN3O2S2 MolecularWeight: 396.2821

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C14H10BrN3O2S2/c1-18-10-5-3-2-4-9(10)17-14(18)11(8-16)22(19,20)13-7-6-12(15)21-13/h2-7,11H,1H3/t11-/m0/s1