3-azanyl-2-oxidanyl-4-propyl-5-propylsulfanyl-benzenecarbonitrile

Systemtic Name: 3-azanyl-2-oxidanyl-4-propyl-5-propylsulfanyl-benzenecarbonitrile Openeye Name: 3-amino-2-hydroxy-4-propyl-5-propylsulfanyl-benzonitrile CAS Name: 3-amino-2-hydroxy-4-propyl-5-(propylthio)benzonitrile IUPAC Name: 3-amino-2-hydroxy-4-propyl-5-propylsulfanylbenzonitrile Traditional Name: 3-amino-2-hydroxy-4-propyl-5-(propylthio)benzonitrile Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1N)O)C#N)SCCC

Isomeric SMILES

CCCC1=C(C=C(C(=C1N)O)C#N)SCCC

InChI

InChI=1S/C13H18N2OS/c1-3-5-10-11(17-6-4-2)7-9(8-14)13(16)12(10)15/h7,16H,3-6,15H2,1-2H3