4-(4-ethoxyphenyl)-3-(3-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(4-ethoxyphenyl)-3-(3-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-(m-tolyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(3-methylphenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-(3-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(m-tolyl)-5-[(3-nitrobenzyl)thio]-4-p-phenetyl-1,2,4-triazole Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)C

InChI

InChI=1S/C24H22N4O3S/c1-3-31-22-12-10-20(11-13-22)27-23(19-8-4-6-17(2)14-19)25-26-24(27)32-16-18-7-5-9-21(15-18)28(29)30/h4-15H,3,16H2,1-2H3