1-[6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]pyridin-3-yl]sulfonylazepane

Systemtic Name: 1-[6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]pyridin-3-yl]sulfonylazepane Openeye Name: 1-[[6-[(1-phenyltetrazol-5-yl)methylsulfanyl]-3-pyridyl]sulfonyl]azepane CAS Name: 1-[[6-[(1-phenyl-5-tetrazolyl)methylthio]-3-pyridinyl]sulfonyl]azepane IUPAC Name: 1-[6-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyridin-3-yl]sulfonylazepane Traditional Name: 1-[[6-[(1-phenyltetrazol-5-yl)methylthio]-3-pyridyl]sulfonyl]azepane Formula: C19H22N6O2S2 MolecularWeight: 430.54698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H22N6O2S2/c26-29(27,24-12-6-1-2-7-13-24)17-10-11-19(20-14-17)28-15-18-21-22-23-25(18)16-8-4-3-5-9-16/h3-5,8-11,14H,1-2,6-7,12-13,15H2