N-tert-butyl-1-[2-chloranyl-4-(3-thiomorpholin-4-ylprop-1-ynyl)phenyl]-5-(4-chlorophenyl)-4-methoxy-pyrazole-3-carboxamide

Systemtic Name: N-tert-butyl-1-[2-chloranyl-4-(3-thiomorpholin-4-ylprop-1-ynyl)phenyl]-5-(4-chlorophenyl)-4-methoxy-pyrazole-3-carboxamide Openeye Name: N-tert-butyl-5-(4-chlorophenyl)-1-[2-chloro-4-(3-thiomorpholinoprop-1-ynyl)phenyl]-4-methoxy-pyrazole-3-carboxamide CAS Name: N-tert-butyl-5-(4-chlorophenyl)-1-[2-chloro-4-(3-thiomorpholin-4-ylprop-1-ynyl)phenyl]-4-methoxy-3-pyrazolecarboxamide IUPAC Name: N-tert-butyl-5-(4-chlorophenyl)-1-[2-chloro-4-(3-thiomorpholin-4-ylprop-1-ynyl)phenyl]-4-methoxypyrazole-3-carboxamide Traditional Name: N-tert-butyl-5-(4-chlorophenyl)-1-[2-chloro-4-(3-thiomorpholinoprop-1-ynyl)phenyl]-4-methoxy-pyrazole-3-carboxamide Formula: C28H30Cl2N4O2S MolecularWeight: 557.5344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=NN(C(=C1OC)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C#CCN4CCSCC4)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=NN(C(=C1OC)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C#CCN4CCSCC4)Cl

InChI

InChI=1S/C28H30Cl2N4O2S/c1-28(2,3)31-27(35)24-26(36-4)25(20-8-10-21(29)11-9-20)34(32-24)23-12-7-19(18-22(23)30)6-5-13-33-14-16-37-17-15-33/h7-12,18H,13-17H2,1-4H3,(H,31,35)