2-[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]sulfanylaniline

Systemtic Name: 2-[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]sulfanylaniline Openeye Name: 2-[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]sulfanylaniline CAS Name: 2-[[2-(4-nitrophenyl)-5-phenyl-3-pyrazolyl]thio]aniline IUPAC Name: 2-[2-(4-nitrophenyl)-5-phenylpyrazol-3-yl]sulfanylaniline Traditional Name: [2-[[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]thio]phenyl]amine Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)SC3=CC=CC=C3N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)SC3=CC=CC=C3N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O2S/c22-18-8-4-5-9-20(18)28-21-14-19(15-6-2-1-3-7-15)23-24(21)16-10-12-17(13-11-16)25(26)27/h1-14H,22H2