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

Systemtic Name: 1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-(3-chloranyl-4-methyl-phenyl)thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(1,4-diketo-2,3-dihydrophthalazin-5-yl)thiourea Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O2S/c1-8-5-6-9(7-11(8)17)18-16(24)19-12-4-2-3-10-13(12)15(23)21-20-14(10)22/h2-7H,1H3,(H,20,22)(H,21,23)(H2,18,19,24)