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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C21H20ClN3S MolecularWeight: 381.9216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCN3C=CC=C3C2C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN3C=CC=C3C2C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3S/c1-15-17(22)9-5-10-18(15)23-21(26)25-14-13-24-12-6-11-19(24)20(25)16-7-3-2-4-8-16/h2-12,20H,13-14H2,1H3,(H,23,26)