3-(2-methoxyphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(2-methoxyphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-methoxyphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-methoxyphenyl)-5-[2-(3-nitrophenoxy)ethylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-methoxyphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-methoxyphenyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-3-11-23-19(17-9-4-5-10-18(17)27-2)21-22-20(23)29-13-12-28-16-8-6-7-15(14-16)24(25)26/h3-10,14H,1,11-13H2,2H3