2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-1H-pyrazol-3-one CAS Name: 2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]-3-pyrazolin-3-one Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(C)(C)C)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C(C)(C)C)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c1-9-12(13(18)16(15-9)14(2,3)4)21-11-8-6-5-7-10(11)17(19)20/h5-8,15H,1-4H3