1-[(4-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one

Systemtic Name: 1-[(4-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one Openeye Name: 1-[[4-(2-pyridyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-(2-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[(4-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one Traditional Name: 1-[[4-(2-pyridyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C14H17N5OS MolecularWeight: 303.38268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=NNC(=S)N2C3=CC=CC=N3

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NNC(=S)N2C3=CC=CC=N3

InChI

InChI=1S/C14H17N5OS/c20-13-7-2-1-5-9-18(13)10-12-16-17-14(21)19(12)11-6-3-4-8-15-11/h3-4,6,8H,1-2,5,7,9-10H2,(H,17,21)