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

Systemtic Name: (1S)-N-(3-chloranyl-4-methyl-phenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-(3-chloro-4-methyl-phenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-(3-chloro-4-methylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-(3-chloro-4-methylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-(3-chloro-4-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=CC(=C(C=C3)C)Cl

Isomeric SMILES

C[C@H]1C2=CC=CN2CCN1C(=S)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C16H18ClN3S/c1-11-5-6-13(10-14(11)17)18-16(21)20-9-8-19-7-3-4-15(19)12(20)2/h3-7,10,12H,8-9H2,1-2H3,(H,18,21)/t12-/m0/s1