N-(3-chloranyl-2-methyl-phenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C16H18ClN3S MolecularWeight: 319.85222

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CN2CCN1C(=S)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1C2=CC=CN2CCN1C(=S)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C16H18ClN3S/c1-11-13(17)5-3-6-14(11)18-16(21)20-10-9-19-8-4-7-15(19)12(20)2/h3-8,12H,9-10H2,1-2H3,(H,18,21)