5-(3,4-dimethylphenyl)-2,4-dimethyl-pyrazole-3-carbothioamide

Systemtic Name: 5-(3,4-dimethylphenyl)-2,4-dimethyl-pyrazole-3-carbothioamide Openeye Name: 5-(3,4-dimethylphenyl)-2,4-dimethyl-pyrazole-3-carbothioamide CAS Name: 5-(3,4-dimethylphenyl)-2,4-dimethyl-3-pyrazolecarbothioamide IUPAC Name: 5-(3,4-dimethylphenyl)-2,4-dimethylpyrazole-3-carbothioamide Traditional Name: 5-(3,4-dimethylphenyl)-2,4-dimethyl-pyrazole-3-carbothioamide Formula: C14H17N3S MolecularWeight: 259.36988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2C)C(=S)N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2C)C(=S)N)C)C

InChI

InChI=1S/C14H17N3S/c1-8-5-6-11(7-9(8)2)12-10(3)13(14(15)18)17(4)16-12/h5-7H,1-4H3,(H2,15,18)