[2,5-bis(oxidanylidene)-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: [2,5-bis(oxidanylidene)-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-[2,5-dioxo-1-(4-phenylazophenyl)pyrrolidin-3-yl]-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [2,5-dioxo-1-(4-phenyldiazenylphenyl)-3-pyrrolidinyl] ester IUPAC Name: [2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-[2,5-diketo-1-(4-phenylazophenyl)pyrrolidin-3-yl]-3-phenyl-isothiourea Formula: C24H18N6O2S MolecularWeight: 454.50372

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)N=NC3=CC=CC=C3)SC(=NC4=CC=CC=C4)NC#N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)N=NC3=CC=CC=C3)SC(=NC4=CC=CC=C4)NC#N

InChI

InChI=1S/C24H18N6O2S/c25-16-26-24(27-17-7-3-1-4-8-17)33-21-15-22(31)30(23(21)32)20-13-11-19(12-14-20)29-28-18-9-5-2-6-10-18/h1-14,21H,15H2,(H,26,27)