1-[2-chloranyl-3-[(4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]phenyl]-3-cyclopropyl-propane-1,3-dione

Systemtic Name: 1-[2-chloranyl-3-[(4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]phenyl]-3-cyclopropyl-propane-1,3-dione Openeye Name: 1-[2-chloro-3-[(4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]-3-cyclopropyl-propane-1,3-dione CAS Name: 1-[2-chloro-3-[[4-methyl-3-(methylthio)-5-oxo-1,2,4-triazol-1-yl]methyl]phenyl]-3-cyclopropylpropane-1,3-dione IUPAC Name: 1-[2-chloro-3-[(4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]-3-cyclopropylpropane-1,3-dione Traditional Name: 1-[2-chloro-3-[[5-keto-4-methyl-3-(methylthio)-1,2,4-triazol-1-yl]methyl]phenyl]-3-cyclopropyl-propane-1,3-dione Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=CC=CC(=C2Cl)C(=O)CC(=O)C3CC3)SC

Isomeric SMILES

CN1C(=NN(C1=O)CC2=CC=CC(=C2Cl)C(=O)CC(=O)C3CC3)SC

InChI

InChI=1S/C17H18ClN3O3S/c1-20-16(25-2)19-21(17(20)24)9-11-4-3-5-12(15(11)18)14(23)8-13(22)10-6-7-10/h3-5,10H,6-9H2,1-2H3