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

Systemtic Name: 6-[[[3-(2-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[3-(2-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[3-(2-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[3-(2-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[(3-o-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNN2C(=NNC2=S)C3=CC=CC=C3OCC)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNN2C(=NNC2=S)C3=CC=CC=C3OCC)C=C1

InChI

InChI=1S/C20H22N4O3S/c1-3-11-27-15-10-9-14(17(25)12-15)13-21-24-19(22-23-20(24)28)16-7-5-6-8-18(16)26-4-2/h5-10,12-13,21H,3-4,11H2,1-2H3,(H,23,28)