4-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3CCCCCC3

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3CCCCCC3

InChI

InChI=1S/C17H22N4O2S/c1-20-16(13-6-8-14(22)9-7-13)18-19-17(20)24-12-15(23)21-10-4-2-3-5-11-21/h6-9,18H,2-5,10-12H2,1H3