4-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzenecarbothioamide IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)thiobenzamide Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=S)N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=S)N)C

InChI

InChI=1S/C12H13N3S/c1-8-7-9(2)15(14-8)11-5-3-10(4-6-11)12(13)16/h3-7H,1-2H3,(H2,13,16)