2-ethyl-4-[(4-propan-2-ylphenyl)carbamothioylamino]pyrazole-3-carboxamide

Systemtic Name: 2-ethyl-4-[(4-propan-2-ylphenyl)carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 2-ethyl-4-[(4-isopropylphenyl)carbamothioylamino]pyrazole-3-carboxamide CAS Name: 2-ethyl-4-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-4-[(4-propan-2-ylphenyl)carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 2-ethyl-4-(p-cumenylthiocarbamoylamino)pyrazole-3-carboxamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NC2=CC=C(C=C2)C(C)C)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=CC=C(C=C2)C(C)C)C(=O)N

InChI

InChI=1S/C16H21N5OS/c1-4-21-14(15(17)22)13(9-18-21)20-16(23)19-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H2,17,22)(H2,19,20,23)