1-azanyl-3-[5,6,7,8-tetrakis(bromanyl)-4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]thiourea

Systemtic Name: 1-azanyl-3-[5,6,7,8-tetrakis(bromanyl)-4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]thiourea Openeye Name: 1-amino-3-[5,6,7,8-tetrabromo-1-oxo-4-(p-tolyl)phthalazin-2-yl]thiourea CAS Name: 1-amino-3-[5,6,7,8-tetrabromo-4-(4-methylphenyl)-1-oxo-2-phthalazinyl]thiourea IUPAC Name: 1-amino-3-[5,6,7,8-tetrabromo-4-(4-methylphenyl)-1-oxophthalazin-2-yl]thiourea Traditional Name: 1-amino-3-[5,6,7,8-tetrabromo-1-keto-4-(p-tolyl)phthalazin-2-yl]thiourea Formula: C16H11Br4N5OS MolecularWeight: 640.97244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=C2C(=C(C(=C3Br)Br)Br)Br)NC(=S)NN

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=C2C(=C(C(=C3Br)Br)Br)Br)NC(=S)NN

InChI

InChI=1S/C16H11Br4N5OS/c1-6-2-4-7(5-3-6)14-8-9(11(18)13(20)12(19)10(8)17)15(26)25(23-14)24-16(27)22-21/h2-5H,21H2,1H3,(H2,22,24,27)