2-azanyl-1-(2,4-dinitrophenyl)-3-sulfanyl-propan-1-one

Systemtic Name: 2-azanyl-1-(2,4-dinitrophenyl)-3-sulfanyl-propan-1-one Openeye Name: 2-amino-1-(2,4-dinitrophenyl)-3-sulfanyl-propan-1-one CAS Name: 2-amino-1-(2,4-dinitrophenyl)-3-mercapto-1-propanone IUPAC Name: 2-amino-1-(2,4-dinitrophenyl)-3-sulfanylpropan-1-one Traditional Name: 2-amino-1-(2,4-dinitrophenyl)-3-mercapto-propan-1-one Formula: C9H9N3O5S MolecularWeight: 271.24986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)C(CS)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)C(CS)N

InChI

InChI=1S/C9H9N3O5S/c10-7(4-18)9(13)6-2-1-5(11(14)15)3-8(6)12(16)17/h1-3,7,18H,4,10H2