2-(3-azanylpropylamino)-6-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]benzenecarbonitrile

Systemtic Name: 2-(3-azanylpropylamino)-6-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]benzenecarbonitrile Openeye Name: 2-(3-aminopropylamino)-6-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]benzonitrile CAS Name: 2-(3-aminopropylamino)-6-[(5-bromo-2-methoxyphenyl)methylthio]benzonitrile IUPAC Name: 2-(3-aminopropylamino)-6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]benzonitrile Traditional Name: 2-(3-aminopropylamino)-6-[(5-bromo-2-methoxy-benzyl)thio]benzonitrile Formula: C18H20BrN3OS MolecularWeight: 406.3399

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC(=C2C#N)NCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC(=C2C#N)NCCCN

InChI

InChI=1S/C18H20BrN3OS/c1-23-17-7-6-14(19)10-13(17)12-24-18-5-2-4-16(15(18)11-21)22-9-3-8-20/h2,4-7,10,22H,3,8-9,12,20H2,1H3