5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCOCC4)OC

InChI

InChI=1S/C21H24N4O3S/c1-26-18-9-8-16(14-19(18)27-2)20-22-24(15-23-10-12-28-13-11-23)21(29)25(20)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3/p+1