4-(2-tert-butyl-5-chloranyl-4-methoxy-phenyl)-3-(2-nitro-4-pentan-3-yl-phenyl)sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(2-tert-butyl-5-chloranyl-4-methoxy-phenyl)-3-(2-nitro-4-pentan-3-yl-phenyl)sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(2-tert-butyl-5-chloro-4-methoxy-phenyl)-3-[4-(1-ethylpropyl)-2-nitro-phenyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(2-tert-butyl-5-chloro-4-methoxyphenyl)-3-[(2-nitro-4-pentan-3-ylphenyl)thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(2-tert-butyl-5-chloro-4-methoxyphenyl)-3-(2-nitro-4-pentan-3-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-(2-tert-butyl-5-chloro-4-methoxy-phenyl)-3-[[4-(1-ethylpropyl)-2-nitro-phenyl]thio]-1H-1,2,4-triazol-5-one Formula: C24H29ClN4O4S MolecularWeight: 505.02946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC(=C(C=C1)SC2=NNC(=O)N2C3=CC(=C(C=C3C(C)(C)C)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C1=CC(=C(C=C1)SC2=NNC(=O)N2C3=CC(=C(C=C3C(C)(C)C)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H29ClN4O4S/c1-7-14(8-2)15-9-10-21(19(11-15)29(31)32)34-23-27-26-22(30)28(23)18-13-17(25)20(33-6)12-16(18)24(3,4)5/h9-14H,7-8H2,1-6H3,(H,26,30)