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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NC=C2C=C(C(=O)C(=C2)Cl)OC

Isomeric SMILES

CCC1=NNC(=S)N1NC=C2C=C(C(=O)C(=C2)Cl)OC

InChI

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