1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-(2-nitrophenyl)thiourea

Systemtic Name: 1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-(2-nitrophenyl)thiourea Openeye Name: 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-nitrophenyl)thiourea CAS Name: 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-nitrophenyl)thiourea IUPAC Name: 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-nitrophenyl)thiourea Traditional Name: 1-(1,4-diketo-2,3-dihydrophthalazin-5-yl)-3-(2-nitrophenyl)thiourea Formula: C15H11N5O4S MolecularWeight: 357.34394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NC2=CC=CC3=C2C(=O)NNC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NC2=CC=CC3=C2C(=O)NNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O4S/c21-13-8-4-3-6-10(12(8)14(22)19-18-13)17-15(25)16-9-5-1-2-7-11(9)20(23)24/h1-7H,(H,18,21)(H,19,22)(H2,16,17,25)