4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carbothioamide

Systemtic Name: 4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carbothioamide Openeye Name: 4-methyl-N-(p-tolylmethyl)pyrazole-1-carbothioamide CAS Name: 4-methyl-N-[(4-methylphenyl)methyl]-1-pyrazolecarbothioamide IUPAC Name: 4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carbothioamide Traditional Name: 4-methyl-N-(4-methylbenzyl)pyrazole-1-carbothioamide Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)N2C=C(C=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)N2C=C(C=N2)C

InChI

InChI=1S/C13H15N3S/c1-10-3-5-12(6-4-10)8-14-13(17)16-9-11(2)7-15-16/h3-7,9H,8H2,1-2H3,(H,14,17)