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

Systemtic Name: 2-[4-(hydroxymethyl)-2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]butan-1-ol Openeye Name: 2-[4-(hydroxymethyl)-2-methyl-5-phenyl-3-(thiomorpholinomethyl)pyrrol-1-yl]butan-1-ol CAS Name: 2-[4-(hydroxymethyl)-2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)-1-pyrrolyl]-1-butanol IUPAC Name: 2-[4-(hydroxymethyl)-2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]butan-1-ol Traditional Name: 2-[2-methyl-4-methylol-5-phenyl-3-(thiomorpholinomethyl)pyrrol-1-yl]butan-1-ol Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2S/c1-3-18(14-24)23-16(2)19(13-22-9-11-26-12-10-22)20(15-25)21(23)17-7-5-4-6-8-17/h4-8,18,24-25H,3,9-15H2,1-2H3