4-(azepan-1-ylsulfanylmethyl)-3-chloranyl-benzenecarbonitrile

Systemtic Name: 4-(azepan-1-ylsulfanylmethyl)-3-chloranyl-benzenecarbonitrile Openeye Name: 4-(azepan-1-ylsulfanylmethyl)-3-chloro-benzonitrile CAS Name: 4-[(1-azepanylthio)methyl]-3-chlorobenzonitrile IUPAC Name: 4-(azepan-1-ylsulfanylmethyl)-3-chlorobenzonitrile Traditional Name: 4-[(azepan-1-ylthio)methyl]-3-chloro-benzonitrile Formula: C14H17ClN2S MolecularWeight: 280.81618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)SCC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

C1CCCN(CC1)SCC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C14H17ClN2S/c15-14-9-12(10-16)5-6-13(14)11-18-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,11H2