ethanoic acid; 4-[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]butan-1-ol

Systemtic Name: ethanoic acid; 4-[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]butan-1-ol Openeye Name: acetic acid; 4-[4-(4-pyridylmethyl)indeno[1,2-b]thiophen-4-yl]butan-1-ol CAS Name: acetic acid; 4-[4-(pyridin-4-ylmethyl)-4-indeno[1,2-b]thiophenyl]-1-butanol IUPAC Name: acetic acid; 4-[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]butan-1-ol Traditional Name: acetic acid; 4-[4-(4-pyridylmethyl)indeno[1,2-b]thiophen-4-yl]butan-1-ol Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C3=C(C2(CCCCO)CC4=CC=NC=C4)C=CS3

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C3=C(C2(CCCCO)CC4=CC=NC=C4)C=CS3

InChI

InChI=1S/C21H21NOS.C2H4O2/c23-13-4-3-10-21(15-16-7-11-22-12-8-16)18-6-2-1-5-17(18)20-19(21)9-14-24-20;1-2(3)4/h1-2,5-9,11-12,14,23H,3-4,10,13,15H2;1H3,(H,3,4)