3-(3-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-chlorophenyl)-4-[2-(4-morpholin-4-iumyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Formula: C14H18ClN4OS+ MolecularWeight: 325.83692

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=NNC2=S)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1COCC[NH+]1CCN2C(=NNC2=S)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H17ClN4OS/c15-12-3-1-2-11(10-12)13-16-17-14(21)19(13)5-4-18-6-8-20-9-7-18/h1-3,10H,4-9H2,(H,17,21)/p+1