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

Systemtic Name: 4-[[[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-ethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(2-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-ethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(2-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNN2C(=NNC2=S)C3=CC=CC=C3Br)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNN2C(=NNC2=S)C3=CC=CC=C3Br)C=CC1=O

InChI

InChI=1S/C17H15BrN4O2S/c1-2-24-15-9-11(7-8-14(15)23)10-19-22-16(20-21-17(22)25)12-5-3-4-6-13(12)18/h3-10,19H,2H2,1H3,(H,21,25)