[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-1-cyano-N-(4-methylphenyl)indolizine-3-carboximidothioate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-1-cyano-N-(4-methylphenyl)indolizine-3-carboximidothioate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 2-amino-1-cyano-N-(p-tolyl)indolizine-3-carboximidothioate CAS Name: 2-amino-1-cyano-N-(4-methylphenyl)-3-indolizinecarboximidothioic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 2-amino-1-cyano-N-(4-methylphenyl)indolizine-3-carboximidothioate Traditional Name: 2-amino-1-cyano-N-(p-tolyl)indolizine-3-carboximidothioic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C25H20BrN5OS MolecularWeight: 518.4282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(C2=C(C(=C3N2C=CC=C3)C#N)N)SCC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)N=C(C2=C(C(=C3N2C=CC=C3)C#N)N)SCC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H20BrN5OS/c1-16-8-10-18(11-9-16)30-25(33-15-22(32)29-19-6-4-5-17(26)13-19)24-23(28)20(14-27)21-7-2-3-12-31(21)24/h2-13H,15,28H2,1H3,(H,29,32)