N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-nitro-1H-pyrrole-2-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-nitro-1H-pyrrole-2-carboxamide Openeye Name: 4-nitro-N-[2-(p-tolylmethylsulfanyl)ethyl]-1H-pyrrole-2-carboxamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-4-nitro-1H-pyrrole-2-carboxamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-nitro-1H-pyrrole-2-carboxamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-4-nitro-1H-pyrrole-2-carboxamide Formula: C15H17N3O3S MolecularWeight: 319.37878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O3S/c1-11-2-4-12(5-3-11)10-22-7-6-16-15(19)14-8-13(9-17-14)18(20)21/h2-5,8-9,17H,6-7,10H2,1H3,(H,16,19)