4-[[3-[ethyl(3-propylsulfanylpropyl)amino]-2-oxidanyl-propyl]amino]benzenecarbonitrile

Systemtic Name: 4-[[3-[ethyl(3-propylsulfanylpropyl)amino]-2-oxidanyl-propyl]amino]benzenecarbonitrile Openeye Name: 4-[[3-[ethyl(3-propylsulfanylpropyl)amino]-2-hydroxy-propyl]amino]benzonitrile CAS Name: 4-[[3-[ethyl-[3-(propylthio)propyl]amino]-2-hydroxypropyl]amino]benzonitrile IUPAC Name: 4-[[3-[ethyl(3-propylsulfanylpropyl)amino]-2-hydroxypropyl]amino]benzonitrile Traditional Name: 4-[[3-[ethyl-[3-(propylthio)propyl]amino]-2-hydroxy-propyl]amino]benzonitrile Formula: C18H29N3OS MolecularWeight: 335.50736

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCN(CC)CC(CNC1=CC=C(C=C1)C#N)O

Isomeric SMILES

CCCSCCCN(CC)CC(CNC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C18H29N3OS/c1-3-11-23-12-5-10-21(4-2)15-18(22)14-20-17-8-6-16(13-19)7-9-17/h6-9,18,20,22H,3-5,10-12,14-15H2,1-2H3