6-bromanyl-2-phenyl-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one

Systemtic Name: 6-bromanyl-2-phenyl-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one Openeye Name: 3-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-6-bromo-2-phenyl-quinazolin-4-one CAS Name: 6-bromo-2-phenyl-3-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-4-quinazolinone IUPAC Name: 6-bromo-2-phenyl-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one Traditional Name: 3-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-6-bromo-2-phenyl-quinazolin-4-one Formula: C19H13BrN4OS2 MolecularWeight: 457.36672

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C=CCSC1=NN=C(S1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C19H13BrN4OS2/c1-2-10-26-19-23-22-18(27-19)24-16(12-6-4-3-5-7-12)21-15-9-8-13(20)11-14(15)17(24)25/h2-9,11H,1,10H2