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

Systemtic Name: 2-bromanyl-4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 2-bromo-4-[[(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-bromo-4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 2-bromo-4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 2-bromo-4-[[(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C13H13BrN4O2S MolecularWeight: 369.23692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4O2S/c1-20-10-5-7(4-9(14)11(10)19)6-15-18-12(8-2-3-8)16-17-13(18)21/h4-6,8,15H,2-3H2,1H3,(H,17,21)