2,3,6-trimethyl-5-nitro-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine

Systemtic Name: 2,3,6-trimethyl-5-nitro-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine Openeye Name: 4-(2-benzylsulfanylphenyl)-2,3,6-trimethyl-5-nitro-1,4-dihydropyridine CAS Name: 2,3,6-trimethyl-5-nitro-4-[2-(phenylmethylthio)phenyl]-1,4-dihydropyridine IUPAC Name: 4-(2-benzylsulfanylphenyl)-2,3,6-trimethyl-5-nitro-1,4-dihydropyridine Traditional Name: 4-[2-(benzylthio)phenyl]-2,3,6-trimethyl-5-nitro-1,4-dihydropyridine Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C(C1C2=CC=CC=C2SCC3=CC=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(NC(=C(C1C2=CC=CC=C2SCC3=CC=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H22N2O2S/c1-14-15(2)22-16(3)21(23(24)25)20(14)18-11-7-8-12-19(18)26-13-17-9-5-4-6-10-17/h4-12,20,22H,13H2,1-3H3