N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(1,2,3,4-tetrazol-1-yl)benzamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(1,2,3,4-tetrazol-1-yl)benzamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-2-(tetrazol-1-yl)benzamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-2-(1-tetrazolyl)benzamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(tetrazol-1-yl)benzamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-2-(tetrazol-1-yl)benzamide Formula: C20H16N6OS MolecularWeight: 388.44564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)N4C=NN=N4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)N4C=NN=N4

InChI

InChI=1S/C20H16N6OS/c27-20(18-5-1-2-6-19(18)26-14-22-24-25-26)23-16-7-9-17(10-8-16)28-13-15-4-3-11-21-12-15/h1-12,14H,13H2,(H,23,27)