2-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)ethanenitrile

Systemtic Name: 2-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: 2-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)acetonitrile CAS Name: 2-[6-(4-morpholinylsulfonyl)-1,3-benzothiazol-2-yl]acetonitrile IUPAC Name: 2-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)acetonitrile Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)CC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)CC#N

InChI

InChI=1S/C13H13N3O3S2/c14-4-3-13-15-11-2-1-10(9-12(11)20-13)21(17,18)16-5-7-19-8-6-16/h1-2,9H,3,5-8H2