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

Systemtic Name: 4-[4-(2-methoxyethyl)-3-methylsulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(2-methoxyethyl)-3-methylsulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(2-methoxyethyl)-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(2-methoxyethyl)-3-methylsulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(2-methoxyethyl)-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C2C=CC(=O)C=C2)NN=C1SC

Isomeric SMILES

COCCN1C(=C2C=CC(=O)C=C2)NN=C1SC

InChI

InChI=1S/C12H15N3O2S/c1-17-8-7-15-11(13-14-12(15)18-2)9-3-5-10(16)6-4-9/h3-6,13H,7-8H2,1-2H3