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

Systemtic Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 4-methyl-3-[(4-nitrophenyl)methylthio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-nitrobenzyl)thio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C19H20N4O5S/c1-22-18(13-9-15(26-2)17(28-4)16(10-13)27-3)20-21-19(22)29-11-12-5-7-14(8-6-12)23(24)25/h5-10H,11H2,1-4H3