2-[2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]butan-1-ol

Systemtic Name: 2-[2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]butan-1-ol Openeye Name: 2-[2-methyl-5-phenyl-3-(thiomorpholinomethyl)pyrrol-1-yl]butan-1-ol CAS Name: 2-[2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)-1-pyrrolyl]-1-butanol IUPAC Name: 2-[2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]butan-1-ol Traditional Name: 2-[2-methyl-5-phenyl-3-(thiomorpholinomethyl)pyrrol-1-yl]butan-1-ol Formula: C20H28N2OS MolecularWeight: 344.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C(=C(C=C1C2=CC=CC=C2)CN3CCSCC3)C

Isomeric SMILES

CCC(CO)N1C(=C(C=C1C2=CC=CC=C2)CN3CCSCC3)C

InChI

InChI=1S/C20H28N2OS/c1-3-19(15-23)22-16(2)18(14-21-9-11-24-12-10-21)13-20(22)17-7-5-4-6-8-17/h4-8,13,19,23H,3,9-12,14-15H2,1-2H3