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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-(5-nitrofuran-2-yl)methanone Openeye Name: [4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-(5-nitro-2-furyl)methanone CAS Name: [4-[(4-chlorophenyl)thio]-3,5-dimethyl-1-pyrazolyl]-(5-nitro-2-furanyl)methanone IUPAC Name: [4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(5-nitrofuran-2-yl)methanone Traditional Name: [4-[(4-chlorophenyl)thio]-3,5-dimethyl-pyrazol-1-yl]-(5-nitro-2-furyl)methanone Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(O2)[N+](=O)[O-])C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(O2)[N+](=O)[O-])C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3O4S/c1-9-15(25-12-5-3-11(17)4-6-12)10(2)19(18-9)16(21)13-7-8-14(24-13)20(22)23/h3-8H,1-2H3