[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-[(3-cyano-4,5-dimethyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3)C

InChI

InChI=1S/C20H22N4O2S/c1-14-15(2)26-19(17(14)12-21)23-18(25)13-27-20(24-10-6-7-11-24)22-16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-11,13H2,1-2H3,(H,23,25)