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

Systemtic Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]morpholine-4-carbothioamide Openeye Name: N-[1-(o-tolylmethyl)pyrazol-4-yl]morpholine-4-carbothioamide CAS Name: N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-4-morpholinecarbothioamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]morpholine-4-carbothioamide Traditional Name: N-[1-(2-methylbenzyl)pyrazol-4-yl]morpholine-4-carbothioamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CCOCC3

InChI

InChI=1S/C16H20N4OS/c1-13-4-2-3-5-14(13)11-20-12-15(10-17-20)18-16(22)19-6-8-21-9-7-19/h2-5,10,12H,6-9,11H2,1H3,(H,18,22)