4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-(4-cyanophenyl)ethylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-(4-cyanophenyl)ethylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-(4-cyanophenyl)ethylideneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-1-(4-cyanophenyl)ethylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-(4-cyanophenyl)ethylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-1-(4-cyanophenyl)ethylideneamino]benzamide Formula: C24H18N4OS2 MolecularWeight: 442.55592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)C#N

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)/C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H18N4OS2/c1-16(19-10-6-17(14-25)7-11-19)27-28-23(29)20-12-8-18(9-13-20)15-30-24-26-21-4-2-3-5-22(21)31-24/h2-13H,15H2,1H3,(H,28,29)/b27-16+