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

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-methoxy-3-nitrophenyl)methylthio]-5-(4-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-methoxy-3-nitro-benzyl)thio]-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O4S/c1-31-20-11-9-19(10-12-20)23-25-26-24(27(23)15-17-6-4-3-5-7-17)33-16-18-8-13-22(32-2)21(14-18)28(29)30/h3-14H,15-16H2,1-2H3