1-[(4-chlorophenyl)methylamino]-3-(4-nitrophenyl)sulfanyl-propan-2-ol hydrochloride

Systemtic Name: 1-[(4-chlorophenyl)methylamino]-3-(4-nitrophenyl)sulfanyl-propan-2-ol hydrochloride Openeye Name: 1-[(4-chlorophenyl)methylamino]-3-(4-nitrophenyl)sulfanyl-propan-2-ol hydrochloride CAS Name: 1-[(4-chlorophenyl)methylamino]-3-[(4-nitrophenyl)thio]-2-propanol hydrochloride IUPAC Name: 1-[(4-chlorophenyl)methylamino]-3-(4-nitrophenyl)sulfanylpropan-2-ol hydrochloride Traditional Name: 1-[(4-chlorobenzyl)amino]-3-[(4-nitrophenyl)thio]propan-2-ol hydrochloride Formula: C16H18Cl2N2O3S MolecularWeight: 389.29672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC(CSC2=CC=C(C=C2)[N+](=O)[O-])O)Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1CNCC(CSC2=CC=C(C=C2)[N+](=O)[O-])O)Cl.Cl

InChI

InChI=1S/C16H17ClN2O3S.ClH/c17-13-3-1-12(2-4-13)9-18-10-15(20)11-23-16-7-5-14(6-8-16)19(21)22;/h1-8,15,18,20H,9-11H2;1H