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

Systemtic Name: 3-(4-methoxyphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-(4-methoxyphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-5-[(2-methyl-3-nitrophenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-5-[(2-methyl-3-nitro-benzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC3CCCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC3CCCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H24N4O4S/c1-15-17(5-3-7-20(15)26(27)28)14-31-22-24-23-21(16-8-10-18(29-2)11-9-16)25(22)13-19-6-4-12-30-19/h3,5,7-11,19H,4,6,12-14H2,1-2H3