3-butoxy-1-(4-chloranyl-3-nitro-phenyl)sulfonyl-5-(4-chlorophenyl)-1,2,4-triazole

Systemtic Name: 3-butoxy-1-(4-chloranyl-3-nitro-phenyl)sulfonyl-5-(4-chlorophenyl)-1,2,4-triazole Openeye Name: 3-butoxy-1-(4-chloro-3-nitro-phenyl)sulfonyl-5-(4-chlorophenyl)-1,2,4-triazole CAS Name: 3-butoxy-1-(4-chloro-3-nitrophenyl)sulfonyl-5-(4-chlorophenyl)-1,2,4-triazole IUPAC Name: 3-butoxy-1-(4-chloro-3-nitrophenyl)sulfonyl-5-(4-chlorophenyl)-1,2,4-triazole Traditional Name: 3-butoxy-1-(4-chloro-3-nitro-phenyl)sulfonyl-5-(4-chlorophenyl)-1,2,4-triazole Formula: C18H16Cl2N4O5S MolecularWeight: 471.31444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16Cl2N4O5S/c1-2-3-10-29-18-21-17(12-4-6-13(19)7-5-12)23(22-18)30(27,28)14-8-9-15(20)16(11-14)24(25)26/h4-9,11H,2-3,10H2,1H3