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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[1-(4-chlorobenzyl)pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H19ClN4S MolecularWeight: 382.90966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN4S/c21-18-7-5-15(6-8-18)13-25-12-10-19(23-25)22-20(26)24-11-9-16-3-1-2-4-17(16)14-24/h1-8,10,12H,9,11,13-14H2,(H,22,23,26)