1-[4-[(4-nitrophenyl)sulfanylmethyl]phenyl]pyrazole

Systemtic Name: 1-[4-[(4-nitrophenyl)sulfanylmethyl]phenyl]pyrazole Openeye Name: 1-[4-[(4-nitrophenyl)sulfanylmethyl]phenyl]pyrazole CAS Name: 1-[4-[[(4-nitrophenyl)thio]methyl]phenyl]pyrazole IUPAC Name: 1-[4-[(4-nitrophenyl)sulfanylmethyl]phenyl]pyrazole Traditional Name: 1-[4-[[(4-nitrophenyl)thio]methyl]phenyl]pyrazole Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O2S/c20-19(21)15-6-8-16(9-7-15)22-12-13-2-4-14(5-3-13)18-11-1-10-17-18/h1-11H,12H2