4-[3-[(4-methoxyphenyl)carbamothioylamino]propyl]-1H-pyrazol-5-olate

Systemtic Name: 4-[3-[(4-methoxyphenyl)carbamothioylamino]propyl]-1H-pyrazol-5-olate Openeye Name: 4-[3-[(4-methoxyphenyl)carbamothioylamino]propyl]-1H-pyrazol-5-olate CAS Name: 4-[3-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]propyl]-1H-pyrazol-5-olate IUPAC Name: 4-[3-[(4-methoxyphenyl)carbamothioylamino]propyl]-1H-pyrazol-5-olate Traditional Name: 4-[3-[(4-methoxyphenyl)thiocarbamoylamino]propyl]-1H-pyrazol-5-olate Formula: C14H17N4O2S- MolecularWeight: 305.37538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NCCCC2=C(NN=C2)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NCCCC2=C(NN=C2)[O-]

InChI

InChI=1S/C14H18N4O2S/c1-20-12-6-4-11(5-7-12)17-14(21)15-8-2-3-10-9-16-18-13(10)19/h4-7,9H,2-3,8H2,1H3,(H2,15,17,21)(H2,16,18,19)/p-1