S-(2-diethylaminoethyl) 4-nitrobenzenecarbothioate hydrochloride

Systemtic Name: S-(2-diethylaminoethyl) 4-nitrobenzenecarbothioate hydrochloride Openeye Name: S-(2-diethylaminoethyl) 4-nitrobenzenecarbothioate hydrochloride CAS Name: 4-nitrobenzenecarbothioic acid S-(2-diethylaminoethyl) ester hydrochloride IUPAC Name: S-(2-diethylaminoethyl) 4-nitrobenzenecarbothioate hydrochloride Traditional Name: 4-nitrothiobenzoic acid S-(2-diethylaminoethyl) ester hydrochloride Formula: C13H19ClN2O3S MolecularWeight: 318.81956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)CCSC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H18N2O3S.ClH/c1-3-14(4-2)9-10-19-13(16)11-5-7-12(8-6-11)15(17)18;/h5-8H,3-4,9-10H2,1-2H3;1H