4-[(4-butylphenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(4-butylphenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[(4-butylphenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(4-butylanilino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(4-butylphenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-[(4-butylphenyl)thiocarbamoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CN(N=C2C(=O)N)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CN(N=C2C(=O)N)C

InChI

InChI=1S/C16H21N5OS/c1-3-4-5-11-6-8-12(9-7-11)18-16(23)19-13-10-21(2)20-14(13)15(17)22/h6-10H,3-5H2,1-2H3,(H2,17,22)(H2,18,19,23)