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

Systemtic Name: 4-(4-methylphenyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(p-tolyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-methylphenyl)-3-(4-thiomorpholin-4-iumylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-methylphenyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(p-tolyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione Formula: C14H19N4S2+ MolecularWeight: 307.45746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)C[NH+]3CCSCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)C[NH+]3CCSCC3

InChI

InChI=1S/C14H18N4S2/c1-11-2-4-12(5-3-11)18-13(15-16-14(18)19)10-17-6-8-20-9-7-17/h2-5H,6-10H2,1H3,(H,16,19)/p+1