4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-3-pyridylmethyleneamino]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[(E)-3-pyridinylmethylideneamino]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[(E)-3-pyridylmethyleneamino]benzamide Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)NN=CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)N/N=C/C4=CN=CC=C4

InChI

InChI=1S/C21H17N5OS/c27-20(26-23-13-16-4-3-11-22-12-16)17-9-7-15(8-10-17)14-28-21-24-18-5-1-2-6-19(18)25-21/h1-13H,14H2,(H,24,25)(H,26,27)/b23-13+