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

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylthio]-4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O5S/c1-31-20-13-17(14-21(32-2)22(20)33-3)23-25-26-24(27(23)18-7-5-4-6-8-18)34-15-16-9-11-19(12-10-16)28(29)30/h4-14H,15H2,1-3H3