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

Systemtic Name: 6-[[[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-prop-2-enyl-cyclohexa-2,4-dien-1-one Openeye Name: 2-allyl-6-[[[3-(2-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-prop-2-enyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-prop-2-enylcyclohexa-2,4-dien-1-one Traditional Name: 2-allyl-6-[[[3-(2-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C18H15BrN4OS MolecularWeight: 415.3069

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=CNN2C(=NNC2=S)C3=CC=CC=C3Br)C1=O

Isomeric SMILES

C=CCC1=CC=CC(=CNN2C(=NNC2=S)C3=CC=CC=C3Br)C1=O

InChI

InChI=1S/C18H15BrN4OS/c1-2-6-12-7-5-8-13(16(12)24)11-20-23-17(21-22-18(23)25)14-9-3-4-10-15(14)19/h2-5,7-11,20H,1,6H2,(H,22,25)