N-(1,4-dioxan-2-ylmethyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-(1,4-dioxan-2-ylmethyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-(1,4-dioxan-2-ylmethyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide CAS Name: N-(1,4-dioxan-2-ylmethyl)-3-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]propanamide IUPAC Name: N-(1,4-dioxan-2-ylmethyl)-3-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]propanamide Traditional Name: N-(1,4-dioxan-2-ylmethyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]propionamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CO1)CNC(=O)CCSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

C1COC(CO1)CNC(=O)CCSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H26N4O3S/c27-21(23-15-20-16-28-11-12-29-20)8-13-30-17-18-14-24-26(19-6-2-1-3-7-19)22(18)25-9-4-5-10-25/h1-7,9-10,14,20H,8,11-13,15-17H2,(H,23,27)