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

Systemtic Name: 3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-methoxyphenyl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C19H18N4O3S MolecularWeight: 382.43622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-3-11-22-18(15-7-9-17(26-2)10-8-15)20-21-19(22)27-13-14-5-4-6-16(12-14)23(24)25/h3-10,12H,1,11,13H2,2H3