3-(4-methoxyphenyl)-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: 3-(4-methoxyphenyl)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]prop-2-enamide CAS Name: 3-(4-methoxyphenyl)-N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-methoxyphenyl)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]prop-2-enamide Traditional Name: 3-(4-methoxyphenyl)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]acrylamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H17N5O3S/c1-10-9-13(19-18-10)15(23)20-21-16(25)17-14(22)8-5-11-3-6-12(24-2)7-4-11/h3-9H,1-2H3,(H,18,19)(H,20,23)(H2,17,21,22,25)