(E)-3-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-[6-(dimethylamino)-1,3-benzothiazol-2-yl]prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-[6-(dimethylamino)-1,3-benzothiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-2-besyl-3-[6-(dimethylamino)-1,3-benzothiazol-2-yl]acrylonitrile Formula: C18H15N3O2S2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)N=C(S2)C=C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)N=C(S2)/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O2S2/c1-21(2)13-8-9-16-17(10-13)24-18(20-16)11-15(12-19)25(22,23)14-6-4-3-5-7-14/h3-11H,1-2H3/b15-11+