4,5-bis(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4,5-bis(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-4,5-bis(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 4,5-bis(4-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4,5-bis(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-4,5-bis(p-tolyl)-1,2,4-triazole-3-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=C(C=C3)C)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=C(C=C3)C)C[NH+]4CCOCC4

InChI

InChI=1S/C21H24N4OS/c1-16-3-7-18(8-4-16)20-22-24(15-23-11-13-26-14-12-23)21(27)25(20)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3/p+1