bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-[(2,4-dichlorophenyl)methylsulfanyl]propan-1-amine

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-[(2,4-dichlorophenyl)methylsulfanyl]propan-1-amine Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-[(2,4-dichlorophenyl)methylsulfanyl]propan-1-amine CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-[(2,4-dichlorophenyl)methylthio]-1-propanamine IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-[(2,4-dichlorophenyl)methylsulfanyl]propan-1-amine Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-[(2,4-dichlorobenzyl)thio]propylamine Formula: C16H17Cl2NS MolecularWeight: 326.28388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C1C=C2.C1=CC(=C(C=C1Cl)Cl)CSCCCN

Isomeric SMILES

C1=CC2=C1C=C2.C1=CC(=C(C=C1Cl)Cl)CSCCCN

InChI

InChI=1S/C10H13Cl2NS.C6H4/c11-9-3-2-8(10(12)6-9)7-14-5-1-4-13;1-2-6-4-3-5(1)6/h2-3,6H,1,4-5,7,13H2;1-4H