4-bromanyl-6-[3-[2-(4-methylpiperidin-1-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-(4-methylpiperidin-1-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-(4-methyl-1-piperidyl)-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-methyl-1-piperidinyl)-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-(4-methylpiperidin-1-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-(4-methylpiperidino)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]-4-bromo-cyclohexa-2,4-dien-1-one Formula: C19H23BrN4O2S MolecularWeight: 451.38052

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NNC(=C3C=C(C=CC3=O)Br)N2CC=C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NNC(=C3C=C(C=CC3=O)Br)N2CC=C

InChI

InChI=1S/C19H23BrN4O2S/c1-3-8-24-18(15-11-14(20)4-5-16(15)25)21-22-19(24)27-12-17(26)23-9-6-13(2)7-10-23/h3-5,11,13,21H,1,6-10,12H2,2H3