4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]benzamide Formula: C29H21N5OS3 MolecularWeight: 551.70494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNC(=O)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=N/NC(=O)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H21N5OS3/c35-28(21-14-12-20(13-15-21)19-37-29-31-24-9-4-5-10-25(24)38-29)32-30-17-22-18-34(23-7-2-1-3-8-23)33-27(22)26-11-6-16-36-26/h1-18H,19H2,(H,32,35)/b30-17+