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

Systemtic Name: 2-ethoxy-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-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-ethoxy-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-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(benzylthio)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNN2C(=S)NN=C2SCC3=CC=CC=C3)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNN2C(=S)NN=C2SCC3=CC=CC=C3)C=CC1=O

InChI

InChI=1S/C18H18N4O2S2/c1-2-24-16-10-14(8-9-15(16)23)11-19-22-17(25)20-21-18(22)26-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3,(H,20,25)