5-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzoxazole-2-thione

Systemtic Name: 5-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzoxazole-2-thione Openeye Name: 5-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzoxazole-2-thione CAS Name: 5-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzoxazole-2-thione IUPAC Name: 5-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzoxazole-2-thione Traditional Name: 5-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzoxazole-2-thione Formula: C17H15ClN2OS MolecularWeight: 330.8318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CN3C4=C(C=CC(=C4)Cl)OC3=S

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CN3C4=C(C=CC(=C4)Cl)OC3=S

InChI

InChI=1S/C17H15ClN2OS/c18-14-5-6-16-15(9-14)20(17(22)21-16)11-19-8-7-12-3-1-2-4-13(12)10-19/h1-6,9H,7-8,10-11H2