3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN=C2SC3CCCCNC3=O

Isomeric SMILES

COC1=CC=CC=C1N2C=NN=C2SC3CCCCNC3=O

InChI

InChI=1S/C15H18N4O2S/c1-21-12-7-3-2-6-11(12)19-10-17-18-15(19)22-13-8-4-5-9-16-14(13)20/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,16,20)