[2-[(6-iodanyl-4-oxidanylidene-2-phenyl-quinazolin-3-yl)amino]-2-oxidanylidene-ethyl] thiocyanate

Systemtic Name: [2-[(6-iodanyl-4-oxidanylidene-2-phenyl-quinazolin-3-yl)amino]-2-oxidanylidene-ethyl] thiocyanate Openeye Name: [2-[(6-iodo-4-oxo-2-phenyl-quinazolin-3-yl)amino]-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [2-[(6-iodo-4-oxo-2-phenyl-3-quinazolinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-iodo-4-oxo-2-phenylquinazolin-3-yl)amino]-2-oxoethyl] thiocyanate Traditional Name: thiocyanic acid [2-[(6-iodo-4-keto-2-phenyl-quinazolin-3-yl)amino]-2-keto-ethyl] ester Formula: C17H11IN4O2S MolecularWeight: 462.26431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2NC(=O)CSC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2NC(=O)CSC#N

InChI

InChI=1S/C17H11IN4O2S/c18-12-6-7-14-13(8-12)17(24)22(21-15(23)9-25-10-19)16(20-14)11-4-2-1-3-5-11/h1-8H,9H2,(H,21,23)