4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-phenylsulfanylpropyl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-phenylsulfanylpropyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-phenylsulfanylpropyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[3-(phenylthio)propyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(3-phenylsulfanylpropyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(phenylthio)propyl]benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCCSC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCCSC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3S/c1-16-21(26(28)29)17(2)25(24-16)15-18-9-11-19(12-10-18)22(27)23-13-6-14-30-20-7-4-3-5-8-20/h3-5,7-12H,6,13-15H2,1-2H3,(H,23,27)