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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

InChI

InChI=1S/C20H20N4O3S/c1-4-12-23-19(16-9-5-6-11-18(16)27-3)21-22-20(23)28-13-15-8-7-10-17(14(15)2)24(25)26/h4-11H,1,12-13H2,2-3H3