4-chloranyl-2-[3-(methylamino)-1-phenyl-propyl]sulfanyl-benzenecarbonitrile hydrochloride

Systemtic Name: 4-chloranyl-2-[3-(methylamino)-1-phenyl-propyl]sulfanyl-benzenecarbonitrile hydrochloride Openeye Name: 4-chloro-2-[3-(methylamino)-1-phenyl-propyl]sulfanyl-benzonitrile hydrochloride CAS Name: 4-chloro-2-[[3-(methylamino)-1-phenylpropyl]thio]benzonitrile hydrochloride IUPAC Name: 4-chloro-2-[3-(methylamino)-1-phenylpropyl]sulfanylbenzonitrile hydrochloride Traditional Name: 4-chloro-2-[[3-(methylamino)-1-phenyl-propyl]thio]benzonitrile hydrochloride Formula: C17H18Cl2N2S MolecularWeight: 353.30922

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CC=C1)SC2=C(C=CC(=C2)Cl)C#N.Cl

Isomeric SMILES

CNCCC(C1=CC=CC=C1)SC2=C(C=CC(=C2)Cl)C#N.Cl

InChI

InChI=1S/C17H17ClN2S.ClH/c1-20-10-9-16(13-5-3-2-4-6-13)21-17-11-15(18)8-7-14(17)12-19;/h2-8,11,16,20H,9-10H2,1H3;1H