3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-methoxy-3-nitrophenyl)methylthio]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-methoxy-3-nitro-benzyl)thio]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-30-21-13-12-17(14-20(21)27(28)29)16-32-23-25-24-22(15-31-19-10-6-3-7-11-19)26(23)18-8-4-2-5-9-18/h2-14H,15-16H2,1H3