3-chloranyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-chloranyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-chloro-N-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)thiocarbamoyl]-4-methoxy-benzamide Formula: C14H15ClN4O2S MolecularWeight: 338.8125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4O2S/c1-7-12(8(2)19-18-7)16-14(22)17-13(20)9-4-5-11(21-3)10(15)6-9/h4-6H,1-3H3,(H,18,19)(H2,16,17,20,22)