N-[[7-chloranyl-1-(2,4-dichlorophenyl)-5H-isothiochromeno[4,3-c]pyrazol-3-yl]methyl]piperidin-1-amine

Systemtic Name: N-[[7-chloranyl-1-(2,4-dichlorophenyl)-5H-isothiochromeno[4,3-c]pyrazol-3-yl]methyl]piperidin-1-amine Openeye Name: N-[[7-chloro-1-(2,4-dichlorophenyl)-5H-isothiochromeno[4,3-c]pyrazol-3-yl]methyl]piperidin-1-amine CAS Name: N-[[7-chloro-1-(2,4-dichlorophenyl)-5H-isothiochromeno[4,3-c]pyrazol-3-yl]methyl]-1-piperidinamine IUPAC Name: N-[[7-chloro-1-(2,4-dichlorophenyl)-5H-isothiochromeno[4,3-c]pyrazol-3-yl]methyl]piperidin-1-amine Traditional Name: [7-chloro-1-(2,4-dichlorophenyl)-5H-isothiochromeno[4,3-c]pyrazol-3-yl]methyl-piperidino-amine Formula: C22H21Cl3N4S MolecularWeight: 479.85294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NCC2=NN(C3=C2SCC4=C3C=CC(=C4)Cl)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCN(CC1)NCC2=NN(C3=C2SCC4=C3C=CC(=C4)Cl)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H21Cl3N4S/c23-15-4-6-17-14(10-15)13-30-22-19(12-26-28-8-2-1-3-9-28)27-29(21(17)22)20-7-5-16(24)11-18(20)25/h4-7,10-11,26H,1-3,8-9,12-13H2