[(5R)-3-methyl-5-(4-nitrophenyl)-5-oxidanyl-4H-pyrazol-1-yl]-phenyl-methanethione

Systemtic Name: [(5R)-3-methyl-5-(4-nitrophenyl)-5-oxidanyl-4H-pyrazol-1-yl]-phenyl-methanethione Openeye Name: [(5R)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-4H-pyrazol-1-yl]-phenyl-methanethione CAS Name: [(5R)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-4H-pyrazol-1-yl]-phenylmethanethione IUPAC Name: [(5R)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-4H-pyrazol-1-yl]-phenylmethanethione Traditional Name: [(5R)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-2-pyrazolin-1-yl]-phenyl-methanethione Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-12-11-17(21,14-7-9-15(10-8-14)20(22)23)19(18-12)16(24)13-5-3-2-4-6-13/h2-10,21H,11H2,1H3/t17-/m1/s1