4-methyl-N-(1-phenylethyl)pyrazole-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3S/c1-10-8-14-16(9-10)13(17)15-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,15,17)