2-[2-methylsulfanyl-4-(1,2,4-triazol-1-yl)phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[2-methylsulfanyl-4-(1,2,4-triazol-1-yl)phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-methylsulfanyl-4-(1,2,4-triazol-1-yl)benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-(methylthio)-4-(1,2,4-triazol-1-yl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-methylsulfanyl-4-(1,2,4-triazol-1-yl)benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-(methylthio)-4-(1,2,4-triazol-1-yl)benzoyl]cyclohexane-1,3-quinone Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)N2C=NC=N2)C(=O)C3C(=O)CCCC3=O

Isomeric SMILES

CSC1=C(C=CC(=C1)N2C=NC=N2)C(=O)C3C(=O)CCCC3=O

InChI

InChI=1S/C16H15N3O3S/c1-23-14-7-10(19-9-17-8-18-19)5-6-11(14)16(22)15-12(20)3-2-4-13(15)21/h5-9,15H,2-4H2,1H3