N-[(5-methylfuran-2-yl)-[(4-nitrophenyl)amino]phosphinothioyl]-4-nitro-aniline

Systemtic Name: N-[(5-methylfuran-2-yl)-[(4-nitrophenyl)amino]phosphinothioyl]-4-nitro-aniline Openeye Name: N-[(5-methyl-2-furyl)-(4-nitroanilino)phosphinothioyl]-4-nitro-aniline CAS Name: N-[(5-methyl-2-furanyl)-(4-nitroanilino)phosphinothioyl]-4-nitroaniline IUPAC Name: N-[(5-methylfuran-2-yl)-(4-nitroanilino)phosphinothioyl]-4-nitroaniline Traditional Name: [(5-methyl-2-furyl)-(4-nitroanilino)thiophosphoryl]-(4-nitrophenyl)amine Formula: C17H15N4O5PS MolecularWeight: 418.363561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)P(=S)(NC2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)P(=S)(NC2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N4O5PS/c1-12-2-11-17(26-12)27(28,18-13-3-7-15(8-4-13)20(22)23)19-14-5-9-16(10-6-14)21(24)25/h2-11H,1H3,(H2,18,19,28)