2-[(2-oxidanylcyclopentyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanyl-benzenecarbonitrile

Systemtic Name: 2-[(2-oxidanylcyclopentyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanyl-benzenecarbonitrile Openeye Name: 2-[(2-hydroxycyclopentyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanyl-benzonitrile CAS Name: 2-[(2-hydroxycyclopentyl)amino]-4-[(3,4,5-trimethoxyphenyl)thio]benzonitrile IUPAC Name: 2-[(2-hydroxycyclopentyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanylbenzonitrile Traditional Name: 2-[(2-hydroxycyclopentyl)amino]-4-[(3,4,5-trimethoxyphenyl)thio]benzonitrile Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=CC(=C(C=C2)C#N)NC3CCCC3O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=CC(=C(C=C2)C#N)NC3CCCC3O

InChI

InChI=1S/C21H24N2O4S/c1-25-19-10-15(11-20(26-2)21(19)27-3)28-14-8-7-13(12-22)17(9-14)23-16-5-4-6-18(16)24/h7-11,16,18,23-24H,4-6H2,1-3H3