N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]propanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]propanamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]propanamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]propanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]propanamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]propionamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC(=C1)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC(=CC(=C1)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S2/c1-2-15(20)17-10-7-11(19(21)22)9-12(8-10)23-16-18-13-5-3-4-6-14(13)24-16/h3-9H,2H2,1H3,(H,17,20)