N-(phenylmethyl)benzamide; 3-propylsulfanylpyridine; hydrochloride

Systemtic Name: N-(phenylmethyl)benzamide; 3-propylsulfanylpyridine; hydrochloride Openeye Name: N-benzylbenzamide; 3-propylsulfanylpyridine; hydrochloride CAS Name: N-(phenylmethyl)benzamide; 3-(propylthio)pyridine; hydrochloride IUPAC Name: N-benzylbenzamide; 3-propylsulfanylpyridine; hydrochloride Traditional Name: N-benzylbenzamide; 3-(propylthio)pyridine; hydrochloride Formula: C22H25ClN2OS MolecularWeight: 400.9647

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CN=CC=C1.C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CCCSC1=CN=CC=C1.C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C14H13NO.C8H11NS.ClH/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12;1-2-6-10-8-4-3-5-9-7-8;/h1-10H,11H2,(H,15,16);3-5,7H,2,6H2,1H3;1H