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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(1-methylpyrazol-4-yl)methylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(1-methylpyrazol-4-yl)methyleneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(1-methyl-4-pyrazolyl)methylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(1-methylpyrazol-4-yl)methylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(1-methylpyrazol-4-yl)methyleneamino]benzamide Formula: C20H17N5OS2 MolecularWeight: 407.51188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=C(C=N1)/C=N/NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N5OS2/c1-25-12-15(11-22-25)10-21-24-19(26)16-8-6-14(7-9-16)13-27-20-23-17-4-2-3-5-18(17)28-20/h2-12H,13H2,1H3,(H,24,26)/b21-10+