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4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoate

4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoate

Systemtic Name:4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoate
Openeye Name:4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoate
CAS Name:4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoate
IUPAC Name:4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoate
Traditional Name:4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoate
Formula: C16H11N2O3S-
MolecularWeight: 311.33514
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)[O-]


InChI

InChI=1S/C16H12N2O3S/c19-14-12-3-1-2-4-13(12)17-16(22)18(14)9-10-5-7-11(8-6-10)15(20)21/h1-8H,9H2,(H,17,22)(H,20,21)/p-1


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