3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-methylphenoxy)methyl]-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-3-12-23-19(13-27-18-10-4-15(2)5-11-18)21-22-20(23)28-14-16-6-8-17(9-7-16)24(25)26/h3-11H,1,12-14H2,2H3