5-tert-butyl-2-methyl-N-[(4-pentylphenyl)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[(4-pentylphenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-2-methyl-N-[(4-pentylphenyl)carbamothioyl]pyrazole-3-carboxamide CAS Name: 5-tert-butyl-2-methyl-N-[(4-pentylanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-2-methyl-N-[(4-pentylphenyl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NN2C)C(C)(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NN2C)C(C)(C)C

InChI

InChI=1S/C21H30N4OS/c1-6-7-8-9-15-10-12-16(13-11-15)22-20(27)23-19(26)17-14-18(21(2,3)4)24-25(17)5/h10-14H,6-9H2,1-5H3,(H2,22,23,26,27)