4-(3-chlorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(3-chlorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(3-chlorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-chlorophenyl)-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chlorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(3-chlorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C13H16ClN4OS+ MolecularWeight: 311.81034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C=N2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C=N2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C13H15ClN4OS/c14-11-2-1-3-12(8-11)17-9-15-18(13(17)20)10-16-4-6-19-7-5-16/h1-3,8-9H,4-7,10H2/p+1