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

Systemtic Name: [1-(5-methyl-1,2-oxazol-3-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-[1-(5-methylisoxazol-3-yl)-2,5-dioxo-pyrrolidin-3-yl]-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [1-(5-methyl-3-isoxazolyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(5-methyl-1,2-oxazol-3-yl)-2,5-dioxopyrrolidin-3-yl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-[2,5-diketo-1-(5-methylisoxazol-3-yl)pyrrolidin-3-yl]-3-phenyl-isothiourea Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N

Isomeric SMILES

CC1=CC(=NO1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N

InChI

InChI=1S/C16H13N5O3S/c1-10-7-13(20-24-10)21-14(22)8-12(15(21)23)25-16(18-9-17)19-11-5-3-2-4-6-11/h2-7,12H,8H2,1H3,(H,18,19)