3-[[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[7-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[3-(4-butan-2-ylphenyl)-7-chloro-4-oxo-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[3-(4-butan-2-ylphenyl)-7-chloro-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[7-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C26H22ClN5O2S MolecularWeight: 504.00318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H22ClN5O2S/c1-3-16(2)17-8-11-19(12-9-17)32-25(34)21-13-10-18(27)14-23(21)28-26(32)35-15-31-24(33)20-6-4-5-7-22(20)29-30-31/h4-14,16H,3,15H2,1-2H3