N-(3,5-dimethylphenyl)-4-methyl-pyrazole-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-methyl-pyrazole-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-methyl-pyrazole-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-methyl-1-pyrazolecarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-methylpyrazole-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-methyl-pyrazole-1-carbothioamide Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3S/c1-9-4-10(2)6-12(5-9)15-13(17)16-8-11(3)7-14-16/h4-8H,1-3H3,(H,15,17)