1-(2,4-dichlorophenyl)-N-hexyl-5-(5-hex-1-ynylthiophen-2-yl)-4-methyl-pyrazole-3-carboxamide

Systemtic Name: 1-(2,4-dichlorophenyl)-N-hexyl-5-(5-hex-1-ynylthiophen-2-yl)-4-methyl-pyrazole-3-carboxamide Openeye Name: 1-(2,4-dichlorophenyl)-N-hexyl-5-(5-hex-1-ynyl-2-thienyl)-4-methyl-pyrazole-3-carboxamide CAS Name: 1-(2,4-dichlorophenyl)-N-hexyl-5-(5-hex-1-ynyl-2-thiophenyl)-4-methyl-3-pyrazolecarboxamide IUPAC Name: 1-(2,4-dichlorophenyl)-N-hexyl-5-(5-hex-1-ynylthiophen-2-yl)-4-methylpyrazole-3-carboxamide Traditional Name: 1-(2,4-dichlorophenyl)-N-hexyl-5-(5-hex-1-ynyl-2-thienyl)-4-methyl-pyrazole-3-carboxamide Formula: C27H31Cl2N3OS MolecularWeight: 516.52554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=NN(C(=C1C)C2=CC=C(S2)C#CCCCC)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCCNC(=O)C1=NN(C(=C1C)C2=CC=C(S2)C#CCCCC)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C27H31Cl2N3OS/c1-4-6-8-10-12-21-14-16-24(34-21)26-19(3)25(27(33)30-17-11-9-7-5-2)31-32(26)23-15-13-20(28)18-22(23)29/h13-16,18H,4-9,11,17H2,1-3H3,(H,30,33)