4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]benzamide Formula: C27H23N5OS2 MolecularWeight: 497.63442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H23N5OS2/c1-18-23(19(2)32(31-18)22-8-4-3-5-9-22)16-28-30-26(33)21-14-12-20(13-15-21)17-34-27-29-24-10-6-7-11-25(24)35-27/h3-16H,17H2,1-2H3,(H,30,33)