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

Systemtic Name: 4-bromanyl-6-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[5-[(2-keto-2-piperidino-ethyl)thio]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=C3C=C(C=CC3=O)Br)NN2

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=C3C=C(C=CC3=O)Br)NN2

InChI

InChI=1S/C15H17BrN4O2S/c16-10-4-5-12(21)11(8-10)14-17-15(19-18-14)23-9-13(22)20-6-2-1-3-7-20/h4-5,8,18H,1-3,6-7,9H2,(H,17,19)