2-chloranyl-6-methyl-4-[5-[4-(2-methylpropoxy)-3-nitro-phenyl]-1H-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 2-chloranyl-6-methyl-4-[5-[4-(2-methylpropoxy)-3-nitro-phenyl]-1H-1,2,4-triazol-3-yl]pyridine Openeye Name: 2-chloro-4-[5-(4-isobutoxy-3-nitro-phenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-pyridine CAS Name: 2-chloro-6-methyl-4-[5-[4-(2-methylpropoxy)-3-nitrophenyl]-1H-1,2,4-triazol-3-yl]pyridine IUPAC Name: 2-chloro-6-methyl-4-[5-[4-(2-methylpropoxy)-3-nitrophenyl]-1H-1,2,4-triazol-3-yl]pyridine Traditional Name: 2-chloro-4-[5-(4-isobutoxy-3-nitro-phenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-pyridine Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C1)C2=NNC(=N2)C3=CC(=C(C=C3)OCC(C)C)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NC(=CC(=C1)C2=NNC(=N2)C3=CC(=C(C=C3)OCC(C)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN5O3/c1-10(2)9-27-15-5-4-12(7-14(15)24(25)26)17-21-18(23-22-17)13-6-11(3)20-16(19)8-13/h4-8,10H,9H2,1-3H3,(H,21,22,23)