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

Systemtic Name: 3-azanyl-4-[2-(dimethylaminomethyl)phenyl]sulfanyl-benzenecarbonitrile hydrochloride Openeye Name: 3-amino-4-[2-(dimethylaminomethyl)phenyl]sulfanyl-benzonitrile hydrochloride CAS Name: 3-amino-4-[[2-(dimethylaminomethyl)phenyl]thio]benzonitrile hydrochloride IUPAC Name: 3-amino-4-[2-(dimethylaminomethyl)phenyl]sulfanylbenzonitrile hydrochloride Traditional Name: 3-amino-4-[[2-(dimethylaminomethyl)phenyl]thio]benzonitrile hydrochloride Formula: C16H18ClN3S MolecularWeight: 319.85222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C#N)N.Cl

Isomeric SMILES

CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C#N)N.Cl

InChI

InChI=1S/C16H17N3S.ClH/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18;/h3-9H,11,18H2,1-2H3;1H