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

Systemtic Name: 4-[[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-ethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(4-dimethylaminophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-ethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(4-dimethylaminophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNN2C(=NNC2=S)C3=CC=C(C=C3)N(C)C)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNN2C(=NNC2=S)C3=CC=C(C=C3)N(C)C)C=CC1=O

InChI

InChI=1S/C19H21N5O2S/c1-4-26-17-11-13(5-10-16(17)25)12-20-24-18(21-22-19(24)27)14-6-8-15(9-7-14)23(2)3/h5-12,20H,4H2,1-3H3,(H,22,27)