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

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-methoxy-5-nitro-benzyl)thio]-5-(2-methoxyphenyl)-1,2,4-triazole Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

InChI

InChI=1S/C20H20N4O4S/c1-4-11-23-19(16-7-5-6-8-18(16)28-3)21-22-20(23)29-13-14-12-15(24(25)26)9-10-17(14)27-2/h4-10,12H,1,11,13H2,2-3H3