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

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(1-naphthyloxymethyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-5-(1-naphthalenyloxymethyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]-5-(1-naphthoxymethyl)-4-phenyl-1,2,4-triazole Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H22N4O4S/c1-34-24-15-14-22(31(32)33)16-20(24)18-36-27-29-28-26(30(27)21-10-3-2-4-11-21)17-35-25-13-7-9-19-8-5-6-12-23(19)25/h2-16H,17-18H2,1H3