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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(=C(N=C2[N+](=O)[O-])C(C)C)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2C(=C(N=C2[N+](=O)[O-])C(C)C)CC(C)C

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/h6-9,11-12,17H,10H2,1-5H3