N-[(5-chloranylthiophen-2-yl)methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-benzamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-benzamide Openeye Name: N-[(5-chloro-2-thienyl)methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-benzamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-methylbenzamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-methylbenzamide Traditional Name: N-[(5-chloro-2-thienyl)methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-benzamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N(C)CC3=CC=C(S3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N(C)CC3=CC=C(S3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O3S/c1-12-18(24(26)27)13(2)23(21-12)10-14-4-6-15(7-5-14)19(25)22(3)11-16-8-9-17(20)28-16/h4-9H,10-11H2,1-3H3