3-[(2,6-dimethylphenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-[(2,6-dimethylphenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(2,6-dimethylphenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(2,6-dimethylphenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(2,6-dimethylphenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(2,6-dimethylphenoxy)methyl]-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3S/c1-13-5-4-6-14(2)18(13)26-11-17-20-21-19(22(17)3)27-12-15-7-9-16(10-8-15)23(24)25/h4-10H,11-12H2,1-3H3