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

Systemtic Name: 4-(2-methyl-5-methylsulfanyl-1H-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(2-methyl-5-methylsulfanyl-1H-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-[2-methyl-5-(methylthio)-1H-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(2-methyl-5-methylsulfanyl-1H-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-methyl-5-(methylthio)-1H-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C10H11N3OS MolecularWeight: 221.27884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)N=C(N1)SC

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)N=C(N1)SC

InChI

InChI=1S/C10H11N3OS/c1-13-9(11-10(12-13)15-2)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,11,12)