4-(4-methylphenyl)sulfanyl-3-(2-methylpropyl)-5-nitro-2-propan-2-yl-3H-pyrrole

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-(2-methylpropyl)-5-nitro-2-propan-2-yl-3H-pyrrole Openeye Name: 3-isobutyl-2-isopropyl-5-nitro-4-(p-tolylsulfanyl)-3H-pyrrole CAS Name: 4-[(4-methylphenyl)thio]-3-(2-methylpropyl)-5-nitro-2-propan-2-yl-3H-pyrrole IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-(2-methylpropyl)-5-nitro-2-propan-2-yl-3H-pyrrole Traditional Name: 3-isobutyl-2-isopropyl-5-nitro-4-(p-tolylthio)-3H-pyrrole Formula: C18H24N2O2S MolecularWeight: 332.46036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N=C(C2CC(C)C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N=C(C2CC(C)C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O2S/c1-11(2)10-15-16(12(3)4)19-18(20(21)22)17(15)23-14-8-6-13(5)7-9-14/h6-9,11-12,15H,10H2,1-5H3