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

Systemtic Name: 3-(4-nitrophenyl)-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(4-nitrophenyl)-4-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Formula: C21H16N4O2S MolecularWeight: 388.44234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O2S/c26-25(27)19-13-11-17(12-14-19)20-22-23-21(24(20)18-9-5-2-6-10-18)28-15-16-7-3-1-4-8-16/h1-14H,15H2