N-(4-iodophenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: N-(4-iodophenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(4-iodophenyl)-1-(4-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(4-iodophenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(4-iodophenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(4-iodophenyl)-1-(4-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C19H17IN4S MolecularWeight: 460.33455

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CN21)C3=CC=NC=C3)C(=S)NC4=CC=C(C=C4)I

Isomeric SMILES

C1CN(C(C2=CC=CN21)C3=CC=NC=C3)C(=S)NC4=CC=C(C=C4)I

InChI

InChI=1S/C19H17IN4S/c20-15-3-5-16(6-4-15)22-19(25)24-13-12-23-11-1-2-17(23)18(24)14-7-9-21-10-8-14/h1-11,18H,12-13H2,(H,22,25)