[4-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]butanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]butanoylamino]phenyl] thiocyanate Openeye Name: [4-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[4-(2,5-dioxo-1-pyrrolidinyl)-1-oxobutyl]amino]phenyl] ester IUPAC Name: [4-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(4-succinimidobutanoylamino)phenyl] ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)CCCC(=O)NC2=CC=C(C=C2)SC#N

Isomeric SMILES

C1CC(=O)N(C1=O)CCCC(=O)NC2=CC=C(C=C2)SC#N

InChI

InChI=1S/C15H15N3O3S/c16-10-22-12-5-3-11(4-6-12)17-13(19)2-1-9-18-14(20)7-8-15(18)21/h3-6H,1-2,7-9H2,(H,17,19)