5-(5-chloranyl-2-methoxy-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-1,2,4-triazole-3-thione Formula: C19H19ClN4OS MolecularWeight: 386.89836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H19ClN4OS/c1-25-17-7-6-15(20)10-16(17)18-21-19(26)24(22-18)12-23-9-8-13-4-2-3-5-14(13)11-23/h2-7,10H,8-9,11-12H2,1H3,(H,21,22,26)