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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=CC=C4)OC

InChI

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