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

Systemtic Name: 3-[(2-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(2-bromophenyl)methylthio]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-bromobenzyl)thio]-5-(4-nitrophenyl)-1,2,4-triazole Formula: C18H15BrN4O2S MolecularWeight: 431.3063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2Br)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrN4O2S/c1-2-11-22-17(13-7-9-15(10-8-13)23(24)25)20-21-18(22)26-12-14-5-3-4-6-16(14)19/h2-10H,1,11-12H2