5-[(2-oxidanylideneazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(2-oxidanylideneazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2-oxoazepan-1-yl)methyl]-4-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(2-oxo-1-azepanyl)methyl]-4-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(2-ketoazepan-1-yl)methyl]-4-(3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C14H16N5OS- MolecularWeight: 302.37474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)[S-]

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)[S-]

InChI

InChI=1S/C14H17N5OS/c20-13-6-2-1-3-8-18(13)10-12-16-17-14(21)19(12)11-5-4-7-15-9-11/h4-5,7,9H,1-3,6,8,10H2,(H,17,21)/p-1