N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS2/c1-3-14(4-2)20-23-24-21(29-20)22-19(27)16-13-26(15-9-6-5-7-10-15)25-18(16)17-11-8-12-28-17/h5-14H,3-4H2,1-2H3,(H,22,24,27)