4-methyl-N-(phenylmethyl)pyrazole-1-carbothioamide

Systemtic Name: 4-methyl-N-(phenylmethyl)pyrazole-1-carbothioamide Openeye Name: N-benzyl-4-methyl-pyrazole-1-carbothioamide CAS Name: 4-methyl-N-(phenylmethyl)-1-pyrazolecarbothioamide IUPAC Name: N-benzyl-4-methylpyrazole-1-carbothioamide Traditional Name: N-benzyl-4-methyl-pyrazole-1-carbothioamide Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CN(N=C1)C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C12H13N3S/c1-10-7-14-15(9-10)12(16)13-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,13,16)