2-methoxy-5-nitro-4-[[2-(3-phenacylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-methoxy-5-nitro-4-[[2-(3-phenacylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-methoxy-5-nitro-4-[[2-(3-phenacylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-methoxy-5-nitro-4-[[[3-(phenacylthio)-1H-1,2,4-triazol-5-yl]hydrazo]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-methoxy-5-nitro-4-[[2-(3-phenacylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-methoxy-5-nitro-4-[[N'-[3-(phenacylthio)-1H-1,2,4-triazol-5-yl]hydrazino]methylene]cyclohexa-2,5-dien-1-one Formula: C18H16N6O5S MolecularWeight: 428.42184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC2=NC(=NN2)SCC(=O)C3=CC=CC=C3)C(=CC1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CNNC2=NC(=NN2)SCC(=O)C3=CC=CC=C3)C(=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O5S/c1-29-16-7-12(13(24(27)28)8-14(16)25)9-19-21-17-20-18(23-22-17)30-10-15(26)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3,(H2,20,21,22,23)