3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-1,2,4-triazole Openeye Name: 4-(2-isopropylphenyl)-3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylthio]-4-(2-propan-2-ylphenyl)-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-5-[(3-nitrobenzyl)thio]-4-o-cumenyl-1,2,4-triazole Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H24N4O3S/c1-17(2)22-9-4-5-10-23(22)28-24(19-11-13-21(32-3)14-12-19)26-27-25(28)33-16-18-7-6-8-20(15-18)29(30)31/h4-15,17H,16H2,1-3H3