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

Systemtic Name: 4-[[[3-(3-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(3-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(3-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(3-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(3-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-methoxy-cyclohexa-2,5-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=CC1=O

Isomeric SMILES

COC1=CC(=CNN2C(=NNC2=S)C3=CC(=CC=C3)Br)C=CC1=O

InChI

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