4-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H17ClN4S MolecularWeight: 356.87238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CN3C(=S)N(C=N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CN3C(=S)N(C=N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H17ClN4S/c19-16-6-3-7-17(10-16)22-12-20-23(18(22)24)13-21-9-8-14-4-1-2-5-15(14)11-21/h1-7,10,12H,8-9,11,13H2