N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[1-(o-tolylmethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[1-(2-methylbenzyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N4S/c1-16-6-2-3-8-18(16)14-25-15-20(12-22-25)23-21(26)24-11-10-17-7-4-5-9-19(17)13-24/h2-9,12,15H,10-11,13-14H2,1H3,(H,23,26)