N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-thienyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[1-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[1-(2,4-dichlorobenzyl)pyrazol-3-yl]-2-[[4-(2-thienyl)pyrimidin-2-yl]thio]acetamide Formula: C20H15Cl2N5OS2 MolecularWeight: 476.402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NC=C2)SCC(=O)NC3=NN(C=C3)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NC=C2)SCC(=O)NC3=NN(C=C3)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H15Cl2N5OS2/c21-14-4-3-13(15(22)10-14)11-27-8-6-18(26-27)25-19(28)12-30-20-23-7-5-16(24-20)17-2-1-9-29-17/h1-10H,11-12H2,(H,25,26,28)