3-(quinazolin-4-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one

Systemtic Name: 3-(quinazolin-4-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one Openeye Name: 3-(quinazolin-4-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one CAS Name: 3-[(4-quinazolinylthio)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-(quinazolin-4-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one Traditional Name: 3-[(quinazolin-4-ylthio)methyl]-1,2,3-benzotriazin-4-one Formula: C16H11N5OS MolecularWeight: 321.35644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H11N5OS/c22-16-12-6-2-4-8-14(12)19-20-21(16)10-23-15-11-5-1-3-7-13(11)17-9-18-15/h1-9H,10H2