N-(2-methoxy-5-methyl-phenyl)-4-phenyl-5-(2,3,4-trimethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-phenyl-5-(2,3,4-trimethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-phenyl-5-(2,3,4-trimethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine CAS Name: N-(2-methoxy-5-methylphenyl)-4-phenyl-5-(2,3,4-trimethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-phenyl-5-(2,3,4-trimethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: (2-methoxy-5-methyl-phenyl)-[4-phenyl-5-(2,3,4-trimethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-yl]amine Formula: C25H26N3O4S+ MolecularWeight: 464.55664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=C(C(=C(C=C3)OC)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=C(C(=C(C=C3)OC)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H26N3O4S/c1-16-11-13-20(29-2)19(15-16)26-25-27-28(17-9-7-6-8-10-17)24(33-25)18-12-14-21(30-3)23(32-5)22(18)31-4/h6-15H,1-5H3,(H,26,27)/q+1