1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanone

Systemtic Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanone Openeye Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanone CAS Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]ethanone IUPAC Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]ethanone Traditional Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]ethanone Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C(=O)CSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCC12OCCO2)C(=O)CSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C23H26N4O3S/c28-21(25-12-8-23(9-13-25)29-14-15-30-23)18-31-17-19-16-24-27(20-6-2-1-3-7-20)22(19)26-10-4-5-11-26/h1-7,10-11,16H,8-9,12-15,17-18H2