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

Systemtic Name: 1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea Traditional Name: 1-(1,4-diketo-2,3-dihydrophthalazin-5-yl)-3-(2,5-dimethylphenyl)thiourea Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=CC3=C2C(=O)NNC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=CC3=C2C(=O)NNC3=O

InChI

InChI=1S/C17H16N4O2S/c1-9-6-7-10(2)13(8-9)19-17(24)18-12-5-3-4-11-14(12)16(23)21-20-15(11)22/h3-8H,1-2H3,(H,20,22)(H,21,23)(H2,18,19,24)