3-[(2-ethoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazole

Systemtic Name: 3-[(2-ethoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(2-allylphenoxy)methyl]-5-[(2-ethoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-ethoxy-5-nitrophenyl)methylthio]-4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-[(2-ethoxy-5-nitrophenyl)methylsulfanyl]-4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(2-allylphenoxy)methyl]-5-[(2-ethoxy-5-nitro-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4CC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4CC=C

InChI

InChI=1S/C27H26N4O4S/c1-3-10-20-11-8-9-14-24(20)35-18-26-28-29-27(30(26)22-12-6-5-7-13-22)36-19-21-17-23(31(32)33)15-16-25(21)34-4-2/h3,5-9,11-17H,1,4,10,18-19H2,2H3