(E)-3-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[5-[(1,3-benzothiazol-2-ylthio)methyl]-2,4-dimethylphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4-dimethylphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[5-[(1,3-benzothiazol-2-ylthio)methyl]-2,4-dimethyl-phenyl]-2-cyano-acrylamide Formula: C20H17N3OS2 MolecularWeight: 379.49848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=O)N)CSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

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

InChI

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