N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carbothioamide

Systemtic Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carbothioamide Openeye Name: N-[1-(o-tolylmethyl)pyrazol-4-yl]pyrrolidine-1-carbothioamide CAS Name: N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-1-pyrrolidinecarbothioamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carbothioamide Traditional Name: N-[1-(2-methylbenzyl)pyrazol-4-yl]pyrrolidine-1-carbothioamide Formula: C16H20N4S MolecularWeight: 300.4218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CCCC3

InChI

InChI=1S/C16H20N4S/c1-13-6-2-3-7-14(13)11-20-12-15(10-17-20)18-16(21)19-8-4-5-9-19/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,18,21)