4-[2-[bis(2-hydroxyethyl)amino]-1-oxidanyl-ethyl]benzo[e][1]benzothiole-8-carbonitrile

Systemtic Name: 4-[2-[bis(2-hydroxyethyl)amino]-1-oxidanyl-ethyl]benzo[e][1]benzothiole-8-carbonitrile Openeye Name: 4-[2-[bis(2-hydroxyethyl)amino]-1-hydroxy-ethyl]benzo[e]benzothiophene-8-carbonitrile CAS Name: 4-[2-[bis(2-hydroxyethyl)amino]-1-hydroxyethyl]-8-benzo[e][1]benzothiolecarbonitrile IUPAC Name: 4-[2-[bis(2-hydroxyethyl)amino]-1-hydroxyethyl]benzo[e][1]benzothiole-8-carbonitrile Traditional Name: 4-[2-[bis(2-hydroxyethyl)amino]-1-hydroxy-ethyl]benzo[e]benzothiophene-8-carbonitrile Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=C3C(=C2C=C1C#N)C=CS3)C(CN(CCO)CCO)O

Isomeric SMILES

C1=CC2=CC(=C3C(=C2C=C1C#N)C=CS3)C(CN(CCO)CCO)O

InChI

InChI=1S/C19H20N2O3S/c20-11-13-1-2-14-10-17(18(24)12-21(4-6-22)5-7-23)19-15(3-8-25-19)16(14)9-13/h1-3,8-10,18,22-24H,4-7,12H2