[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-methoxyphenyl)methanone Openeye Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-methoxyphenyl)methanone CAS Name: [3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]-(4-methoxyphenyl)methanone IUPAC Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]-(4-methoxyphenyl)methanone Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)OC)C)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)OC)C)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S/c1-12-18(27-17-7-5-4-6-16(17)22(24)25)13(2)21(20-12)19(23)14-8-10-15(26-3)11-9-14/h4-11H,1-3H3