3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-6-methyl-thiochromen-4-one

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-6-methyl-thiochromen-4-one Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-6-methyl-thiochromen-4-one CAS Name: 3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-6-methyl-1-benzothiopyran-4-one IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methylthiochromen-4-one Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazino]-6-methyl-thiochromen-4-one Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC=C(C2=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC=C(C2=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C21H21ClN2OS/c1-14-3-6-20-17(11-14)21(25)19(13-26-20)24-9-7-23(8-10-24)18-12-16(22)5-4-15(18)2/h3-6,11-13H,7-10H2,1-2H3