N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)NCCSCC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)NCCSCC4=CC=CC=C4C#N

InChI

InChI=1S/C27H23N5O3S/c28-17-21-6-4-5-7-22(21)19-36-15-14-29-26(33)16-23-18-31(24-8-2-1-3-9-24)30-27(23)20-10-12-25(13-11-20)32(34)35/h1-13,18H,14-16,19H2,(H,29,33)