3-(4-ethylphenyl)-1-methyl-pyrazole-4-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C(=S)N)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C(=S)N)C

InChI

InChI=1S/C13H15N3S/c1-3-9-4-6-10(7-5-9)12-11(13(14)17)8-16(2)15-12/h4-8H,3H2,1-2H3,(H2,14,17)