3-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(2-amino-4-bromo-phenyl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(2-amino-4-bromophenyl)thio]methyl]benzonitrile IUPAC Name: 3-[(2-amino-4-bromophenyl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(2-amino-4-bromo-phenyl)thio]methyl]benzonitrile Formula: C14H11BrN2S MolecularWeight: 319.21954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=C(C=C(C=C2)Br)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=C(C=C(C=C2)Br)N)C#N

InChI

InChI=1S/C14H11BrN2S/c15-12-4-5-14(13(17)7-12)18-9-11-3-1-2-10(6-11)8-16/h1-7H,9,17H2