4-methyl-N-phenethyl-pyrazole-1-carbothioamide

Systemtic Name: 4-methyl-N-phenethyl-pyrazole-1-carbothioamide Openeye Name: 4-methyl-N-phenethyl-pyrazole-1-carbothioamide CAS Name: 4-methyl-N-phenethyl-1-pyrazolecarbothioamide IUPAC Name: 4-methyl-N-phenethylpyrazole-1-carbothioamide Traditional Name: 4-methyl-N-phenethyl-pyrazole-1-carbothioamide Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CN(N=C1)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C13H15N3S/c1-11-9-15-16(10-11)13(17)14-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,17)