4-bromanyl-6-[3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-allyl-3-(2-morpholino-2-oxo-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]-4-bromo-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[3-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-allyl-3-[(2-keto-2-morpholino-ethyl)thio]-1H-1,2,4-triazol-5-ylidene]-4-bromo-cyclohexa-2,4-dien-1-one Formula: C17H19BrN4O3S MolecularWeight: 439.32676

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)N3CCOCC3

Isomeric SMILES

C=CCN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)N3CCOCC3

InChI

InChI=1S/C17H19BrN4O3S/c1-2-5-22-16(13-10-12(18)3-4-14(13)23)19-20-17(22)26-11-15(24)21-6-8-25-9-7-21/h2-4,10,19H,1,5-9,11H2