4-nitro-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 4-nitro-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide Openeye Name: 4-nitro-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide CAS Name: 4-nitro-N-[2-(phenylthio)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-nitro-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide Traditional Name: 4-nitro-N-[2-(phenylthio)phenyl]-1H-pyrazole-5-carboxamide Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S/c21-16(15-13(20(22)23)10-17-19-15)18-12-8-4-5-9-14(12)24-11-6-2-1-3-7-11/h1-10H,(H,17,19)(H,18,21)