6-bromanyl-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-phenethyl-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-phenethyl-2-thioxo-1H-quinazolin-4-one Formula: C16H13BrN2OS MolecularWeight: 361.25622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C16H13BrN2OS/c17-12-6-7-14-13(10-12)15(20)19(16(21)18-14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,21)