3-[(4-methylsulfonylphenyl)methyl]-6-[3-(4-nitrophenyl)prop-1-ynyl]quinazolin-4-one

Systemtic Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-(4-nitrophenyl)prop-1-ynyl]quinazolin-4-one Openeye Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-(4-nitrophenyl)prop-1-ynyl]quinazolin-4-one CAS Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-(4-nitrophenyl)prop-1-ynyl]-4-quinazolinone IUPAC Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-(4-nitrophenyl)prop-1-ynyl]quinazolin-4-one Traditional Name: 3-(4-mesylbenzyl)-6-[3-(4-nitrophenyl)prop-1-ynyl]quinazolin-4-one Formula: C25H19N3O5S MolecularWeight: 473.50046

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C#CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C#CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O5S/c1-34(32,33)22-12-7-20(8-13-22)16-27-17-26-24-14-9-19(15-23(24)25(27)29)4-2-3-18-5-10-21(11-6-18)28(30)31/h5-15,17H,3,16H2,1H3