1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanone CAS Name: 1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-2-[[2-(2-pyrrolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]ethanone IUPAC Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)thio]ethanone Formula: C20H24N5O3S+ MolecularWeight: 414.50126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CSC3=NNC(=C4C=CC=N4)O3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CSC3=NNC(=C4C=CC=N4)O3

InChI

InChI=1S/C20H23N5O3S/c26-18(15-29-20-23-22-19(28-20)17-7-4-8-21-17)25-11-9-24(10-12-25)13-14-27-16-5-2-1-3-6-16/h1-8,22H,9-15H2/p+1