[7-(2-chlorophenyl)-1-ethylsulfonyl-3-(4-methoxyphenyl)-4-oxidanylidene-6-(phenylcarbonyl)-4aH-phthalazin-5-ylidene]azanium

Systemtic Name: [7-(2-chlorophenyl)-1-ethylsulfonyl-3-(4-methoxyphenyl)-4-oxidanylidene-6-(phenylcarbonyl)-4aH-phthalazin-5-ylidene]azanium Openeye Name: [6-benzoyl-7-(2-chlorophenyl)-1-ethylsulfonyl-3-(4-methoxyphenyl)-4-oxo-4aH-phthalazin-5-ylidene]ammonium CAS Name: [6-benzoyl-7-(2-chlorophenyl)-1-ethylsulfonyl-3-(4-methoxyphenyl)-4-oxo-4aH-phthalazin-5-ylidene]ammonium IUPAC Name: [6-benzoyl-7-(2-chlorophenyl)-1-ethylsulfonyl-3-(4-methoxyphenyl)-4-oxo-4aH-phthalazin-5-ylidene]azanium Traditional Name: [6-benzoyl-7-(2-chlorophenyl)-1-esyl-4-keto-3-(4-methoxyphenyl)-4aH-phthalazin-5-ylidene]ammonium Formula: C30H25ClN3O5S+ MolecularWeight: 575.0546

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN(C(=O)C2C1=CC(=C(C2=[NH2+])C(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl)C5=CC=C(C=C5)OC

Isomeric SMILES

CCS(=O)(=O)C1=NN(C(=O)C2C1=CC(=C(C2=[NH2+])C(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H24ClN3O5S/c1-3-40(37,38)29-23-17-22(21-11-7-8-12-24(21)31)25(28(35)18-9-5-4-6-10-18)27(32)26(23)30(36)34(33-29)19-13-15-20(39-2)16-14-19/h4-17,26,32H,3H2,1-2H3/p+1