1-(2-azanylethylamino)-4-(hydroxymethyl)thioxanthen-9-one

Systemtic Name: 1-(2-azanylethylamino)-4-(hydroxymethyl)thioxanthen-9-one Openeye Name: 1-(2-aminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 1-(2-aminoethylamino)-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 1-(2-aminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 1-(2-aminoethylamino)-4-methylol-thioxanthen-9-one Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3S2)CO)NCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3S2)CO)NCCN

InChI

InChI=1S/C16H16N2O2S/c17-7-8-18-12-6-5-10(9-19)16-14(12)15(20)11-3-1-2-4-13(11)21-16/h1-6,18-19H,7-9,17H2