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

Systemtic Name: 4-bromanyl-6-[4-methyl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[4-methyl-3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[4-methyl-3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[3-[(2-keto-2-piperidino-ethyl)thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H19BrN4O2S MolecularWeight: 411.31666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)N3CCCCC3

Isomeric SMILES

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)N3CCCCC3

InChI

InChI=1S/C16H19BrN4O2S/c1-20-15(12-9-11(17)5-6-13(12)22)18-19-16(20)24-10-14(23)21-7-3-2-4-8-21/h5-6,9,18H,2-4,7-8,10H2,1H3