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

Systemtic Name: 4-[4-ethyl-3-[(4-methylsulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-ethyl-3-[(4-methylsulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-ethyl-3-[(4-methylsulfonylphenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-ethyl-3-[(4-methylsulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-ethyl-3-[(4-mesylbenzyl)thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O3S2/c1-3-21-17(14-6-8-15(22)9-7-14)19-20-18(21)25-12-13-4-10-16(11-5-13)26(2,23)24/h4-11,19H,3,12H2,1-2H3