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

Systemtic Name: 4-[[[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(3-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 2-methoxy-4-[[(3-m-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)OC

InChI

InChI=1S/C18H18N4O3S/c1-3-25-14-6-4-5-13(10-14)17-20-21-18(26)22(17)19-11-12-7-8-15(23)16(9-12)24-2/h4-11,19H,3H2,1-2H3,(H,21,26)