ethyl 7-azanyl-4-oxidanylidene-5-phenyl-2-sulfanylidene-4aH-quinazoline-6-carboxylate

Systemtic Name: ethyl 7-azanyl-4-oxidanylidene-5-phenyl-2-sulfanylidene-4aH-quinazoline-6-carboxylate Openeye Name: ethyl 7-amino-4-oxo-5-phenyl-2-thioxo-4aH-quinazoline-6-carboxylate CAS Name: 7-amino-4-oxo-5-phenyl-2-sulfanylidene-4aH-quinazoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-amino-4-oxo-5-phenyl-2-sulfanylidene-4aH-quinazoline-6-carboxylate Traditional Name: 7-amino-4-keto-5-phenyl-2-thioxo-4aH-quinazoline-6-carboxylic acid ethyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2C(=NC(=S)NC2=O)C=C1N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2C(=NC(=S)NC2=O)C=C1N)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O3S/c1-2-23-16(22)13-10(18)8-11-14(15(21)20-17(24)19-11)12(13)9-6-4-3-5-7-9/h3-8,14H,2,18H2,1H3,(H,20,21,24)