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

Systemtic Name: 6-[[[3-(3-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[3-(3-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[3-(3-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[3-(3-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[3-(3-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C16H13BrN4O2S MolecularWeight: 405.26902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C(=NNC2=S)C3=CC(=CC=C3)Br)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNN2C(=NNC2=S)C3=CC(=CC=C3)Br)C(=O)C=C1

InChI

InChI=1S/C16H13BrN4O2S/c1-23-13-5-6-14(22)11(8-13)9-18-21-15(19-20-16(21)24)10-3-2-4-12(17)7-10/h2-9,18H,1H3,(H,20,24)