2-chloranyl-6-ethoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-chloranyl-6-ethoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-chloro-6-ethoxy-4-[[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-chloro-6-ethoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-chloro-6-ethoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-chloro-6-ethoxy-4-[[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNN2C(=NNC2=S)C)C=C(C1=O)Cl

Isomeric SMILES

CCOC1=CC(=CNN2C(=NNC2=S)C)C=C(C1=O)Cl

InChI

InChI=1S/C12H13ClN4O2S/c1-3-19-10-5-8(4-9(13)11(10)18)6-14-17-7(2)15-16-12(17)20/h4-6,14H,3H2,1-2H3,(H,16,20)