4-azanyl-2-ethyl-6-oxidanyl-5-propoxy-3-(3-propylsulfanylpropyl)benzenecarbonitrile

Systemtic Name: 4-azanyl-2-ethyl-6-oxidanyl-5-propoxy-3-(3-propylsulfanylpropyl)benzenecarbonitrile Openeye Name: 4-amino-2-ethyl-6-hydroxy-5-propoxy-3-(3-propylsulfanylpropyl)benzonitrile CAS Name: 4-amino-2-ethyl-6-hydroxy-5-propoxy-3-[3-(propylthio)propyl]benzonitrile IUPAC Name: 4-amino-2-ethyl-6-hydroxy-5-propoxy-3-(3-propylsulfanylpropyl)benzonitrile Traditional Name: 4-amino-2-ethyl-6-hydroxy-5-propoxy-3-[3-(propylthio)propyl]benzonitrile Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C(=C1N)CCCSCCC)CC)C#N)O

Isomeric SMILES

CCCOC1=C(C(=C(C(=C1N)CCCSCCC)CC)C#N)O

InChI

InChI=1S/C18H28N2O2S/c1-4-9-22-18-16(20)14(8-7-11-23-10-5-2)13(6-3)15(12-19)17(18)21/h21H,4-11,20H2,1-3H3