4-[3-(N-cyano-N'-phenyl-carbamimidoyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[3-(N-cyano-N'-phenyl-carbamimidoyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-(N-cyano-N'-phenyl-carbamimidoyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 4-[3-[[(cyanoamino)-phenyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[3-(N-cyano-N'-phenylcarbamimidoyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-[(N-cyano-N'-phenyl-amidino)thio]-2,5-diketo-pyrrolidino]benzoic acid Formula: C19H14N4O4S MolecularWeight: 394.40386

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)SC(=NC3=CC=CC=C3)NC#N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)SC(=NC3=CC=CC=C3)NC#N

InChI

InChI=1S/C19H14N4O4S/c20-11-21-19(22-13-4-2-1-3-5-13)28-15-10-16(24)23(17(15)25)14-8-6-12(7-9-14)18(26)27/h1-9,15H,10H2,(H,21,22)(H,26,27)