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

Systemtic Name: 1-[(4-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one Openeye Name: 1-[[4-(3-pyridyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-(3-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[(4-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one Traditional Name: 1-[[4-(3-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=CN=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NNC(=S)N2C3=CN=CC=C3

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)