2-azanyl-3-(phenylmethylsulfanyl)-2-[(phenylmethylsulfanyl)methyl]propanenitrile hydrochloride

Systemtic Name: 2-azanyl-3-(phenylmethylsulfanyl)-2-[(phenylmethylsulfanyl)methyl]propanenitrile hydrochloride Openeye Name: 2-amino-3-benzylsulfanyl-2-(benzylsulfanylmethyl)propanenitrile hydrochloride CAS Name: 2-amino-3-(phenylmethylthio)-2-[(phenylmethylthio)methyl]propanenitrile hydrochloride IUPAC Name: 2-amino-3-benzylsulfanyl-2-(benzylsulfanylmethyl)propanenitrile hydrochloride Traditional Name: 2-amino-3-(benzylthio)-2-[(benzylthio)methyl]propionitrile hydrochloride Formula: C18H21ClN2S2 MolecularWeight: 364.95574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(CSCC2=CC=CC=C2)(C#N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCC(CSCC2=CC=CC=C2)(C#N)N.Cl

InChI

InChI=1S/C18H20N2S2.ClH/c19-13-18(20,14-21-11-16-7-3-1-4-8-16)15-22-12-17-9-5-2-6-10-17;/h1-10H,11-12,14-15,20H2;1H