1,5-dimethyl-N-[2-[(3-methylphenyl)carbamothioylamino]ethyl]pyrazole-3-carboxamide

Systemtic Name: 1,5-dimethyl-N-[2-[(3-methylphenyl)carbamothioylamino]ethyl]pyrazole-3-carboxamide Openeye Name: 1,5-dimethyl-N-[2-(m-tolylcarbamothioylamino)ethyl]pyrazole-3-carboxamide CAS Name: 1,5-dimethyl-N-[2-[[(3-methylanilino)-sulfanylidenemethyl]amino]ethyl]-3-pyrazolecarboxamide IUPAC Name: 1,5-dimethyl-N-[2-[(3-methylphenyl)carbamothioylamino]ethyl]pyrazole-3-carboxamide Traditional Name: 1,5-dimethyl-N-[2-(m-tolylthiocarbamoylamino)ethyl]pyrazole-3-carboxamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NCCNC(=O)C2=NN(C(=C2)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NCCNC(=O)C2=NN(C(=C2)C)C

InChI

InChI=1S/C16H21N5OS/c1-11-5-4-6-13(9-11)19-16(23)18-8-7-17-15(22)14-10-12(2)21(3)20-14/h4-6,9-10H,7-8H2,1-3H3,(H,17,22)(H2,18,19,23)