4-(2-chlorophenyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-chlorophenyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-chlorophenyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-chlorophenyl)-3-(4-thiomorpholin-4-iumylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-chlorophenyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-chlorophenyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione Formula: C13H16ClN4S2+ MolecularWeight: 327.87594

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=NNC(=S)N2C3=CC=CC=C3Cl

Isomeric SMILES

C1CSCC[NH+]1CC2=NNC(=S)N2C3=CC=CC=C3Cl

InChI

InChI=1S/C13H15ClN4S2/c14-10-3-1-2-4-11(10)18-12(15-16-13(18)19)9-17-5-7-20-8-6-17/h1-4H,5-9H2,(H,16,19)/p+1