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

Systemtic Name: 3-(4-nitrophenyl)-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-nitrophenyl)-4-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-nitrophenyl)-5-(2-oxanylmethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-nitrophenyl)-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-nitrophenyl)-4-phenyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c25-24(26)17-11-9-15(10-12-17)19-21-22-20(23(19)16-6-2-1-3-7-16)28-14-18-8-4-5-13-27-18/h1-3,6-7,9-12,18H,4-5,8,13-14H2