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

Systemtic Name: [1-(4-cyanophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-[1-(4-cyanophenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [1-(4-cyanophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-[1-(4-cyanophenyl)-2,5-diketo-pyrrolidin-3-yl]-3-phenyl-isothiourea Formula: C19H13N5O2S MolecularWeight: 375.40382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N5O2S/c20-11-13-6-8-15(9-7-13)24-17(25)10-16(18(24)26)27-19(22-12-21)23-14-4-2-1-3-5-14/h1-9,16H,10H2,(H,22,23)