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

Systemtic Name: 2-methoxy-4-[[[3-(phenylmethylsulfanyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-benzylsulfanyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-methoxy-4-[[[3-(phenylmethylthio)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-benzylsulfanyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(benzylthio)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S2/c1-23-15-9-13(7-8-14(15)22)10-18-21-16(24)19-20-17(21)25-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H,19,24)