1-[3-azanyl-6-nitro-4-(phenylmethylsulfanyl)-1-benzothiophen-2-yl]propan-1-one

Systemtic Name: 1-[3-azanyl-6-nitro-4-(phenylmethylsulfanyl)-1-benzothiophen-2-yl]propan-1-one Openeye Name: 1-(3-amino-4-benzylsulfanyl-6-nitro-benzothiophen-2-yl)propan-1-one CAS Name: 1-[3-amino-6-nitro-4-(phenylmethylthio)-1-benzothiophen-2-yl]-1-propanone IUPAC Name: 1-(3-amino-4-benzylsulfanyl-6-nitro-1-benzothiophen-2-yl)propan-1-one Traditional Name: 1-[3-amino-4-(benzylthio)-6-nitro-benzothiophen-2-yl]propan-1-one Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CCC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H16N2O3S2/c1-2-13(21)18-17(19)16-14(24-10-11-6-4-3-5-7-11)8-12(20(22)23)9-15(16)25-18/h3-9H,2,10,19H2,1H3