4-[4-ethyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-ethyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-ethyl-3-(2-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-ethyl-3-(2-pyridinylmethylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-ethyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-ethyl-3-(2-pyridylmethylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=CC=N3

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=CC=N3

InChI

InChI=1S/C16H16N4OS/c1-2-20-15(12-6-8-14(21)9-7-12)18-19-16(20)22-11-13-5-3-4-10-17-13/h3-10,18H,2,11H2,1H3