N-[4-[5-[(2-methoxy-5-methyl-phenyl)amino]-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]phenyl]ethanamide

Systemtic Name: N-[4-[5-[(2-methoxy-5-methyl-phenyl)amino]-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]phenyl]ethanamide Openeye Name: N-[4-[5-(2-methoxy-5-methyl-anilino)-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]phenyl]acetamide CAS Name: N-[4-[5-(2-methoxy-5-methylanilino)-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]phenyl]acetamide IUPAC Name: N-[4-[5-(2-methoxy-5-methylanilino)-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]phenyl]acetamide Traditional Name: N-[4-[5-(2-methoxy-5-methyl-anilino)-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]phenyl]acetamide Formula: C24H23N4O2S+ MolecularWeight: 431.53002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O2S/c1-16-9-14-22(30-3)21(15-16)26-24-27-28(20-7-5-4-6-8-20)23(31-24)18-10-12-19(13-11-18)25-17(2)29/h4-15H,1-3H3,(H,26,27)/p+1