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

Systemtic Name: 4-[[(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C(=NNC2=S)C3CCCCC3)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=CNN2C(=NNC2=S)C3CCCCC3)C=C(C1=O)OC

InChI

InChI=1S/C17H22N4O3S/c1-23-13-8-11(9-14(24-2)15(13)22)10-18-21-16(19-20-17(21)25)12-6-4-3-5-7-12/h8-10,12,18H,3-7H2,1-2H3,(H,20,25)