(E)-[(4-methoxyphenyl)methylamino]-[1-(4-methylphenyl)-2-sulfanylidene-imidazo[1,2-a]pyridin-4-ium-3-ylidene]methanolate

Systemtic Name: (E)-[(4-methoxyphenyl)methylamino]-[1-(4-methylphenyl)-2-sulfanylidene-imidazo[1,2-a]pyridin-4-ium-3-ylidene]methanolate Openeye Name: (E)-[(4-methoxyphenyl)methylamino]-[1-(p-tolyl)-2-thioxo-imidazo[1,2-a]pyridin-4-ium-3-ylidene]methanolate CAS Name: (E)-[(4-methoxyphenyl)methylamino]-[1-(4-methylphenyl)-2-sulfanylidene-3-imidazo[1,2-a]pyridin-4-iumylidene]methanolate IUPAC Name: (E)-[(4-methoxyphenyl)methylamino]-[1-(4-methylphenyl)-2-sulfanylideneimidazo[1,2-a]pyridin-4-ium-3-ylidene]methanolate Traditional Name: (E)-(p-anisylamino)-[1-(p-tolyl)-2-thioxo-imidazo[1,2-a]pyridin-4-ium-3-ylidene]methanolate Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=[N+]3C(=C(NCC4=CC=C(C=C4)OC)[O-])C2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=[N+]3/C(=C(\NCC4=CC=C(C=C4)OC)/[O-])/C2=S

InChI

InChI=1S/C23H21N3O2S/c1-16-6-10-18(11-7-16)26-20-5-3-4-14-25(20)21(23(26)29)22(27)24-15-17-8-12-19(28-2)13-9-17/h3-14H,15H2,1-2H3,(H-,24,27,29)