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

Systemtic Name: 4-[[(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C(=NNC2=S)C3CCCCC3)C=CC1=O

Isomeric SMILES

COC1=CC(=CNN2C(=NNC2=S)C3CCCCC3)C=CC1=O

InChI

InChI=1S/C16H20N4O2S/c1-22-14-9-11(7-8-13(14)21)10-17-20-15(18-19-16(20)23)12-5-3-2-4-6-12/h7-10,12,17H,2-6H2,1H3,(H,19,23)