2-methoxy-4-[[[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-methoxy-4-[[[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-benzylsulfanyl-1,2,4-triazol-4-yl)amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-methoxy-4-[[[3-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-benzylsulfanyl-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(benzylthio)-1,2,4-triazol-4-yl]amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C=NN=C2SCC3=CC=CC=C3)C=CC1=O

Isomeric SMILES

COC1=CC(=CNN2C=NN=C2SCC3=CC=CC=C3)C=CC1=O

InChI

InChI=1S/C17H16N4O2S/c1-23-16-9-14(7-8-15(16)22)10-19-21-12-18-20-17(21)24-11-13-5-3-2-4-6-13/h2-10,12,19H,11H2,1H3