N-(2H-benzotriazol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(2H-benzotriazol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(2H-benzotriazol-5-yl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(2H-benzotriazol-5-yl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(2H-benzotriazol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(2H-benzotriazol-5-yl)-2-(4-pyridylmethylthio)nicotinamide Formula: C18H14N6OS MolecularWeight: 362.40836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC4=NNN=C4C=C3

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC4=NNN=C4C=C3

InChI

InChI=1S/C18H14N6OS/c25-17(21-13-3-4-15-16(10-13)23-24-22-15)14-2-1-7-20-18(14)26-11-12-5-8-19-9-6-12/h1-10H,11H2,(H,21,25)(H,22,23,24)