3-(3-nitrophenyl)-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(3-nitrophenyl)-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzylsulfanyl-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 3-(3-nitrophenyl)-5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzylthio)-5-(3-nitrophenyl)-1,2,4-triazole Formula: C18H16N4O2S MolecularWeight: 352.41024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O2S/c1-2-11-21-17(15-9-6-10-16(12-15)22(23)24)19-20-18(21)25-13-14-7-4-3-5-8-14/h2-10,12H,1,11,13H2