(E)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-phenyl-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-phenyl-N-(3-pyridylmethyl)acrylamide Formula: C23H19N3OS2 MolecularWeight: 417.54646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CC3=CN=CC=C3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CC3=CN=CC=C3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H19N3OS2/c1-28-19-10-5-11-20-22(19)25-23(29-20)26(16-18-9-6-14-24-15-18)21(27)13-12-17-7-3-2-4-8-17/h2-15H,16H2,1H3/b13-12+