(4-azanylquinazolin-2-yl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C19H15N7O4S MolecularWeight: 437.4319

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C19H15N7O4S/c1-25-10-21-24-19(25)31-15-7-6-11(8-14(15)26(28)29)18(27)30-9-16-22-13-5-3-2-4-12(13)17(20)23-16/h2-8,10H,9H2,1H3,(H2,20,22,23)