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

Systemtic Name: 2-bromanyl-4-[[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 2-bromo-4-[[[3-(4-dimethylaminophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-bromo-4-[[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 2-bromo-4-[[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 2-bromo-4-[[[3-(4-dimethylaminophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C18H18BrN5O2S MolecularWeight: 448.33682

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=C(C(=O)C(=C3)Br)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=C(C(=O)C(=C3)Br)OC

InChI

InChI=1S/C18H18BrN5O2S/c1-23(2)13-6-4-12(5-7-13)17-21-22-18(27)24(17)20-10-11-8-14(19)16(25)15(9-11)26-3/h4-10,20H,1-3H3,(H,22,27)