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

Systemtic Name: 2-[(2-oxidanylcyclohexyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanyl-benzenecarbonitrile Openeye Name: 2-[(2-hydroxycyclohexyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanyl-benzonitrile CAS Name: 2-[(2-hydroxycyclohexyl)amino]-4-[(3,4,5-trimethoxyphenyl)thio]benzonitrile IUPAC Name: 2-[(2-hydroxycyclohexyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanylbenzonitrile Traditional Name: 2-[(2-hydroxycyclohexyl)amino]-4-[(3,4,5-trimethoxyphenyl)thio]benzonitrile Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=CC(=C(C=C2)C#N)NC3CCCCC3O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=CC(=C(C=C2)C#N)NC3CCCCC3O

InChI

InChI=1S/C22H26N2O4S/c1-26-20-11-16(12-21(27-2)22(20)28-3)29-15-9-8-14(13-23)18(10-15)24-17-6-4-5-7-19(17)25/h8-12,17,19,24-25H,4-7H2,1-3H3