3,5-dimethyl-N-(phenylmethyl)pyrazole-1-carbothioamide

Systemtic Name: 3,5-dimethyl-N-(phenylmethyl)pyrazole-1-carbothioamide Openeye Name: N-benzyl-3,5-dimethyl-pyrazole-1-carbothioamide CAS Name: 3,5-dimethyl-N-(phenylmethyl)-1-pyrazolecarbothioamide IUPAC Name: N-benzyl-3,5-dimethylpyrazole-1-carbothioamide Traditional Name: N-benzyl-3,5-dimethyl-pyrazole-1-carbothioamide Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=S)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NN1C(=S)NCC2=CC=CC=C2)C

InChI

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