(E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-2,5-dimethylphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,5-dimethylphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-2,5-dimethyl-phenyl]-2-cyano-acrylamide Formula: C20H17N3OS2 MolecularWeight: 379.49848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=C(C#N)C(=O)N)C)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=C(\C#N)/C(=O)N)C)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H17N3OS2/c1-12-7-14(9-15(10-21)19(22)24)13(2)16(8-12)11-25-20-23-17-5-3-4-6-18(17)26-20/h3-9H,11H2,1-2H3,(H2,22,24)/b15-9+