1-(4-chloranyl-3-nitro-phenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea Openeye Name: 1-(4-chloro-3-nitro-phenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-(4-chloro-3-nitrophenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea IUPAC Name: 1-(4-chloro-3-nitrophenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea Traditional Name: 1-(4-chloro-3-nitro-phenyl)-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]thiourea Formula: C18H17ClN6O3S MolecularWeight: 432.88398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN6O3S/c19-14-7-6-11(10-15(14)25(27)28)22-18(29)21-9-3-8-20-16-12-4-1-2-5-13(12)17(26)24-23-16/h1-2,4-7,10H,3,8-9H2,(H,20,23)(H,24,26)(H2,21,22,29)