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

Systemtic Name: 4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C14H16N4O3S MolecularWeight: 320.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C(=NNC2=S)C3CC3)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=CNN2C(=NNC2=S)C3CC3)C=C(C1=O)OC

InChI

InChI=1S/C14H16N4O3S/c1-20-10-5-8(6-11(21-2)12(10)19)7-15-18-13(9-3-4-9)16-17-14(18)22/h5-7,9,15H,3-4H2,1-2H3,(H,17,22)