[2-(2-azanylethylsulfanyl)pyridin-3-yl]-(2,5-dimethylphenyl)methanone hydrochloride

Systemtic Name: [2-(2-azanylethylsulfanyl)pyridin-3-yl]-(2,5-dimethylphenyl)methanone hydrochloride Openeye Name: [2-(2-aminoethylsulfanyl)-3-pyridyl]-(2,5-dimethylphenyl)methanone hydrochloride CAS Name: [2-(2-aminoethylthio)-3-pyridinyl]-(2,5-dimethylphenyl)methanone hydrochloride IUPAC Name: [2-(2-aminoethylsulfanyl)pyridin-3-yl]-(2,5-dimethylphenyl)methanone hydrochloride Traditional Name: [2-(2-aminoethylthio)-3-pyridyl]-(2,5-dimethylphenyl)methanone hydrochloride Formula: C16H19ClN2OS MolecularWeight: 322.85286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2=C(N=CC=C2)SCCN.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2=C(N=CC=C2)SCCN.Cl

InChI

InChI=1S/C16H18N2OS.ClH/c1-11-5-6-12(2)14(10-11)15(19)13-4-3-8-18-16(13)20-9-7-17;/h3-6,8,10H,7,9,17H2,1-2H3;1H