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

Systemtic Name: 2-(3-azanylpropylamino)-6-[(5-bromanyl-2-methyl-phenyl)methylsulfanyl]benzenecarbonitrile Openeye Name: 2-(3-aminopropylamino)-6-[(5-bromo-2-methyl-phenyl)methylsulfanyl]benzonitrile CAS Name: 2-(3-aminopropylamino)-6-[(5-bromo-2-methylphenyl)methylthio]benzonitrile IUPAC Name: 2-(3-aminopropylamino)-6-[(5-bromo-2-methylphenyl)methylsulfanyl]benzonitrile Traditional Name: 2-(3-aminopropylamino)-6-[(5-bromo-2-methyl-benzyl)thio]benzonitrile Formula: C18H20BrN3S MolecularWeight: 390.3405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)CSC2=CC=CC(=C2C#N)NCCCN

Isomeric SMILES

CC1=C(C=C(C=C1)Br)CSC2=CC=CC(=C2C#N)NCCCN

InChI

InChI=1S/C18H20BrN3S/c1-13-6-7-15(19)10-14(13)12-23-18-5-2-4-17(16(18)11-21)22-9-3-8-20/h2,4-7,10,22H,3,8-9,12,20H2,1H3