2-ethoxy-4-[[[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-ethoxy-4-[[[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-benzylsulfanyl-1,2,4-triazol-4-yl)amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-ethoxy-4-[[[3-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-benzylsulfanyl-1,2,4-triazol-4-yl)amino]methylidene]-2-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(benzylthio)-1,2,4-triazol-4-yl]amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNN2C=NN=C2SCC3=CC=CC=C3)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNN2C=NN=C2SCC3=CC=CC=C3)C=CC1=O

InChI

InChI=1S/C18H18N4O2S/c1-2-24-17-10-15(8-9-16(17)23)11-20-22-13-19-21-18(22)25-12-14-6-4-3-5-7-14/h3-11,13,20H,2,12H2,1H3