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

Systemtic Name: 4-[4-methyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-methyl-3-(2-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-methyl-3-(2-pyridinylmethylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-methyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-methyl-3-(2-pyridylmethylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C15H14N4OS MolecularWeight: 298.36286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=CC=N3

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=CC=N3

InChI

InChI=1S/C15H14N4OS/c1-19-14(11-5-7-13(20)8-6-11)17-18-15(19)21-10-12-4-2-3-9-16-12/h2-9,17H,10H2,1H3