N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-5-(1-pyrazolylmethyl)-2-furancarboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-5-(pyrazol-1-ylmethyl)-2-furamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4C=CC=N4

InChI

InChI=1S/C22H18N4O4S/c1-15-3-6-19(7-4-15)31-20-12-16(11-17(13-20)26(28)29)24-22(27)21-8-5-18(30-21)14-25-10-2-9-23-25/h2-13H,14H2,1H3,(H,24,27)