2,4-bis(azanyl)-6-ethyl-3-(2-oxidanylpropyl)-5-(3-propylsulfanylpropyl)benzenecarbonitrile

Systemtic Name: 2,4-bis(azanyl)-6-ethyl-3-(2-oxidanylpropyl)-5-(3-propylsulfanylpropyl)benzenecarbonitrile Openeye Name: 2,4-diamino-6-ethyl-3-(2-hydroxypropyl)-5-(3-propylsulfanylpropyl)benzonitrile CAS Name: 2,4-diamino-6-ethyl-3-(2-hydroxypropyl)-5-[3-(propylthio)propyl]benzonitrile IUPAC Name: 2,4-diamino-6-ethyl-3-(2-hydroxypropyl)-5-(3-propylsulfanylpropyl)benzonitrile Traditional Name: 2,4-diamino-6-ethyl-3-(2-hydroxypropyl)-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(=C1CC)C#N)N)CC(C)O)N

Isomeric SMILES

CCCSCCCC1=C(C(=C(C(=C1CC)C#N)N)CC(C)O)N

InChI

InChI=1S/C18H29N3OS/c1-4-8-23-9-6-7-14-13(5-2)16(11-19)18(21)15(17(14)20)10-12(3)22/h12,22H,4-10,20-21H2,1-3H3