3-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-methyl-5-[1-(3-nitrophenyl)ethylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-methyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole Formula: C14H16N4O2S MolecularWeight: 304.36744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC=C)SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O2S/c1-4-8-17-11(3)15-16-14(17)21-10(2)12-6-5-7-13(9-12)18(19)20/h4-7,9-10H,1,8H2,2-3H3