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

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-6-methoxy-thiochromen-4-one Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-6-methoxy-thiochromen-4-one CAS Name: 3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-6-methoxy-1-benzothiopyran-4-one IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazino]-6-methoxy-thiochromen-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CSC4=C(C3=O)C=C(C=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CSC4=C(C3=O)C=C(C=C4)OC

InChI

InChI=1S/C21H21ClN2O2S/c1-14-3-4-15(22)11-18(14)23-7-9-24(10-8-23)19-13-27-20-6-5-16(26-2)12-17(20)21(19)25/h3-6,11-13H,7-10H2,1-2H3