2-(5,6-dihydrobenzo[h]quinazolin-4-ylsulfanyl)ethanoic acid

Systemtic Name: 2-(5,6-dihydrobenzo[h]quinazolin-4-ylsulfanyl)ethanoic acid Openeye Name: 2-(5,6-dihydrobenzo[h]quinazolin-4-ylsulfanyl)acetic acid CAS Name: 2-(5,6-dihydrobenzo[h]quinazolin-4-ylthio)acetic acid IUPAC Name: 2-(5,6-dihydrobenzo[h]quinazolin-4-ylsulfanyl)acetic acid Traditional Name: 2-(5,6-dihydrobenzo[h]quinazolin-4-ylthio)acetic acid Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=CN=C2SCC(=O)O

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=CN=C2SCC(=O)O

InChI

InChI=1S/C14H12N2O2S/c17-12(18)7-19-14-11-6-5-9-3-1-2-4-10(9)13(11)15-8-16-14/h1-4,8H,5-7H2,(H,17,18)