4-methoxy-6-[[2-(3-phenacylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-methoxy-6-[[2-(3-phenacylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-methoxy-6-[[2-(3-phenacylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-methoxy-6-[[[3-(phenacylthio)-1H-1,2,4-triazol-5-yl]hydrazo]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-methoxy-6-[[2-(3-phenacylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-methoxy-6-[[N'-[3-(phenacylthio)-1H-1,2,4-triazol-5-yl]hydrazino]methylene]cyclohexa-2,4-dien-1-one Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC2=NC(=NN2)SCC(=O)C3=CC=CC=C3)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNNC2=NC(=NN2)SCC(=O)C3=CC=CC=C3)C(=O)C=C1

InChI

InChI=1S/C18H17N5O3S/c1-26-14-7-8-15(24)13(9-14)10-19-21-17-20-18(23-22-17)27-11-16(25)12-5-3-2-4-6-12/h2-10,19H,11H2,1H3,(H2,20,21,22,23)