4-[(4-chlorophenyl)methyl]-3-isoquinolin-1-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(4-chlorophenyl)methyl]-3-isoquinolin-1-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-chlorophenyl)methyl]-3-(1-isoquinolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-chlorophenyl)methyl]-3-(1-isoquinolinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(4-chlorophenyl)methyl]-3-isoquinolin-1-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chlorobenzyl)-3-(1-isoquinolyl)-1H-1,2,4-triazole-5-thione Formula: C18H13ClN4S MolecularWeight: 352.84062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C3=NNC(=S)N3CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C3=NNC(=S)N3CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H13ClN4S/c19-14-7-5-12(6-8-14)11-23-17(21-22-18(23)24)16-15-4-2-1-3-13(15)9-10-20-16/h1-10H,11H2,(H,22,24)