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

Systemtic Name: 2-azanyl-3-(3-azanyl-2-oxidanyl-propyl)-4-ethyl-5-(3-propylsulfanylpropyl)benzenecarbonitrile Openeye Name: 2-amino-3-(3-amino-2-hydroxy-propyl)-4-ethyl-5-(3-propylsulfanylpropyl)benzonitrile CAS Name: 2-amino-3-(3-amino-2-hydroxypropyl)-4-ethyl-5-[3-(propylthio)propyl]benzonitrile IUPAC Name: 2-amino-3-(3-amino-2-hydroxypropyl)-4-ethyl-5-(3-propylsulfanylpropyl)benzonitrile Traditional Name: 2-amino-3-(3-amino-2-hydroxy-propyl)-4-ethyl-5-[3-(propylthio)propyl]benzonitrile Formula: C18H29N3OS MolecularWeight: 335.50736

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCC1=C(C(=C(C(=C1)C#N)N)CC(CN)O)CC

Isomeric SMILES

CCCSCCCC1=C(C(=C(C(=C1)C#N)N)CC(CN)O)CC

InChI

InChI=1S/C18H29N3OS/c1-3-7-23-8-5-6-13-9-14(11-19)18(21)17(16(13)4-2)10-15(22)12-20/h9,15,22H,3-8,10,12,20-21H2,1-2H3