3-azanyl-4-[2-(chloromethyl)phenyl]sulfanyl-benzenecarbonitrile

Systemtic Name: 3-azanyl-4-[2-(chloromethyl)phenyl]sulfanyl-benzenecarbonitrile Openeye Name: 3-amino-4-[2-(chloromethyl)phenyl]sulfanyl-benzonitrile CAS Name: 3-amino-4-[[2-(chloromethyl)phenyl]thio]benzonitrile IUPAC Name: 3-amino-4-[2-(chloromethyl)phenyl]sulfanylbenzonitrile Traditional Name: 3-amino-4-[[2-(chloromethyl)phenyl]thio]benzonitrile Formula: C14H11ClN2S MolecularWeight: 274.76854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCl)SC2=C(C=C(C=C2)C#N)N

Isomeric SMILES

C1=CC=C(C(=C1)CCl)SC2=C(C=C(C=C2)C#N)N

InChI

InChI=1S/C14H11ClN2S/c15-8-11-3-1-2-4-13(11)18-14-6-5-10(9-16)7-12(14)17/h1-7H,8,17H2