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

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-4-methyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(4-chlorophenoxy)methyl]-4-methyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-chlorophenoxy)methyl]-4-methyl-5-[(2-methyl-3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenoxy)methyl]-4-methyl-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(4-chlorophenoxy)methyl]-4-methyl-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazole Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4O3S/c1-12-13(4-3-5-16(12)23(24)25)11-27-18-21-20-17(22(18)2)10-26-15-8-6-14(19)7-9-15/h3-9H,10-11H2,1-2H3