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

Systemtic Name: 3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(2-chloro-6-nitrophenyl)methylthio]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-nitro-benzyl)thio]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

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