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

Systemtic Name: [1-(4-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-[1-(4-nitrophenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [1-(4-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-[2,5-diketo-1-(4-nitrophenyl)pyrrolidin-3-yl]-3-phenyl-isothiourea Formula: C18H13N5O4S MolecularWeight: 395.39192

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])SC(=NC3=CC=CC=C3)NC#N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])SC(=NC3=CC=CC=C3)NC#N

InChI

InChI=1S/C18H13N5O4S/c19-11-20-18(21-12-4-2-1-3-5-12)28-15-10-16(24)22(17(15)25)13-6-8-14(9-7-13)23(26)27/h1-9,15H,10H2,(H,20,21)