1-[3-[1-(2-azanylethylsulfanyl)-2-nitro-ethyl]indol-1-yl]ethanone hydrochloride

Systemtic Name: 1-[3-[1-(2-azanylethylsulfanyl)-2-nitro-ethyl]indol-1-yl]ethanone hydrochloride Openeye Name: 1-[3-[1-(2-aminoethylsulfanyl)-2-nitro-ethyl]indol-1-yl]ethanone hydrochloride CAS Name: 1-[3-[1-(2-aminoethylthio)-2-nitroethyl]-1-indolyl]ethanone hydrochloride IUPAC Name: 1-[3-[1-(2-aminoethylsulfanyl)-2-nitroethyl]indol-1-yl]ethanone hydrochloride Traditional Name: 1-[3-[1-(2-aminoethylthio)-2-nitro-ethyl]indol-1-yl]ethanone hydrochloride Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])SCCN.Cl

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])SCCN.Cl

InChI

InChI=1S/C14H17N3O3S.ClH/c1-10(18)16-8-12(11-4-2-3-5-13(11)16)14(9-17(19)20)21-7-6-15;/h2-5,8,14H,6-7,9,15H2,1H3;1H