3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-nitrophenyl)methylthio]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-nitro-benzyl)thio]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C23H19ClN4O3S MolecularWeight: 466.93996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClN4O3S/c1-16-8-5-6-13-21(16)31-14-22-25-26-23(27(22)17-9-3-2-4-10-17)32-15-18-19(24)11-7-12-20(18)28(29)30/h2-13H,14-15H2,1H3