4-methyl-5-[4-(4-nitrophenyl)sulfanylphenyl]-1H-pyrazole

Systemtic Name: 4-methyl-5-[4-(4-nitrophenyl)sulfanylphenyl]-1H-pyrazole Openeye Name: 4-methyl-5-[4-(4-nitrophenyl)sulfanylphenyl]-1H-pyrazole CAS Name: 4-methyl-5-[4-[(4-nitrophenyl)thio]phenyl]-1H-pyrazole IUPAC Name: 4-methyl-5-[4-(4-nitrophenyl)sulfanylphenyl]-1H-pyrazole Traditional Name: 4-methyl-5-[4-[(4-nitrophenyl)thio]phenyl]-1H-pyrazole Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NN=C1)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O2S/c1-11-10-17-18-16(11)12-2-6-14(7-3-12)22-15-8-4-13(5-9-15)19(20)21/h2-10H,1H3,(H,17,18)