2-[[3-chloranyl-5-[(2-ethyl-5-isocyano-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]phenyl]methyl]-4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-one

Systemtic Name: 2-[[3-chloranyl-5-[(2-ethyl-5-isocyano-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]phenyl]methyl]-4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-one Openeye Name: 2-[[3-chloro-5-(2-ethyl-5-isocyano-3-oxo-1H-pyrazole-4-carbonyl)phenyl]methyl]-4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-one CAS Name: 2-[[3-chloro-5-[(2-ethyl-5-isocyano-3-oxo-1H-pyrazol-4-yl)-oxomethyl]phenyl]methyl]-4-ethyl-5-(methylthio)-1,2,4-triazol-3-one IUPAC Name: 2-[[3-chloro-5-(2-ethyl-5-isocyano-3-oxo-1H-pyrazole-4-carbonyl)phenyl]methyl]-4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-one Traditional Name: 2-[3-chloro-5-(1-ethyl-3-isocyano-5-keto-3-pyrazoline-4-carbonyl)benzyl]-4-ethyl-5-(methylthio)-1,2,4-triazol-3-one Formula: C19H19ClN6O3S MolecularWeight: 446.91056

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N1)[N+]#[C-])C(=O)C2=CC(=CC(=C2)Cl)CN3C(=O)N(C(=N3)SC)CC

Isomeric SMILES

CCN1C(=O)C(=C(N1)[N+]#[C-])C(=O)C2=CC(=CC(=C2)Cl)CN3C(=O)N(C(=N3)SC)CC

InChI

InChI=1S/C19H19ClN6O3S/c1-5-24-18(30-4)23-26(19(24)29)10-11-7-12(9-13(20)8-11)15(27)14-16(21-3)22-25(6-2)17(14)28/h7-9,22H,5-6,10H2,1-2,4H3