4-chloranyl-2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-quinazoline

Systemtic Name: 4-chloranyl-2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-quinazoline Openeye Name: 4-chloro-6-nitro-2-(p-tolylsulfonylmethyl)quinazoline CAS Name: 4-chloro-2-[(4-methylphenyl)sulfonylmethyl]-6-nitroquinazoline IUPAC Name: 4-chloro-2-[(4-methylphenyl)sulfonylmethyl]-6-nitroquinazoline Traditional Name: 4-chloro-6-nitro-2-(tosylmethyl)quinazoline Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)Cl

InChI

InChI=1S/C16H12ClN3O4S/c1-10-2-5-12(6-3-10)25(23,24)9-15-18-14-7-4-11(20(21)22)8-13(14)16(17)19-15/h2-8H,9H2,1H3