ethyl 2-[5-[[(4-methylphenyl)-phenylazanyl-methylidene]amino]-4-phenyl-1,2,4-thiadiazol-4-ium-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-[[(4-methylphenyl)-phenylazanyl-methylidene]amino]-4-phenyl-1,2,4-thiadiazol-4-ium-3-yl]ethanoate Openeye Name: ethyl 2-[5-[[anilino(p-tolyl)methylene]amino]-4-phenyl-1,2,4-thiadiazol-4-ium-3-yl]acetate CAS Name: 2-[5-[[anilino-(4-methylphenyl)methylidene]amino]-4-phenyl-1,2,4-thiadiazol-4-ium-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[[anilino-(4-methylphenyl)methylidene]amino]-4-phenyl-1,2,4-thiadiazol-4-ium-3-yl]acetate Traditional Name: 2-[5-[[anilino(p-tolyl)methylene]amino]-4-phenyl-1,2,4-thiadiazol-4-ium-3-yl]acetic acid ethyl ester Formula: C26H25N4O2S+ MolecularWeight: 457.5673

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NSC(=[N+]1C2=CC=CC=C2)N=C(C3=CC=C(C=C3)C)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=NSC(=[N+]1C2=CC=CC=C2)N=C(C3=CC=C(C=C3)C)NC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O2S/c1-3-32-24(31)18-23-29-33-26(30(23)22-12-8-5-9-13-22)28-25(20-16-14-19(2)15-17-20)27-21-10-6-4-7-11-21/h4-17H,3,18H2,1-2H3/p+1