N-[4-[(5E)-4-azanyl-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-8-oxidanylidene-quinazolin-2-yl]sulfanylphenyl]methanesulfonamide

Systemtic Name: N-[4-[(5E)-4-azanyl-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-8-oxidanylidene-quinazolin-2-yl]sulfanylphenyl]methanesulfonamide Openeye Name: N-[4-[(5E)-4-amino-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-8-oxo-quinazolin-2-yl]sulfanylphenyl]methanesulfonamide CAS Name: N-[4-[[(5E)-4-amino-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-8-oxo-2-quinazolinyl]thio]phenyl]methanesulfonamide IUPAC Name: N-[4-[(5E)-4-amino-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-8-oxoquinazolin-2-yl]sulfanylphenyl]methanesulfonamide Traditional Name: N-[4-[[(5E)-4-amino-8-keto-5-(5-methyl-3-pyrazolin-3-ylidene)quinazolin-2-yl]thio]phenyl]methanesulfonamide Formula: C19H18N6O3S2 MolecularWeight: 442.51462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC(=O)C3=C2C(=NC(=N3)SC4=CC=C(C=C4)NS(=O)(=O)C)N)NN1

Isomeric SMILES

CC1=C/C(=C\2/C=CC(=O)C3=C2C(=NC(=N3)SC4=CC=C(C=C4)NS(=O)(=O)C)N)/NN1

InChI

InChI=1S/C19H18N6O3S2/c1-10-9-14(24-23-10)13-7-8-15(26)17-16(13)18(20)22-19(21-17)29-12-5-3-11(4-6-12)25-30(2,27)28/h3-9,23-25H,1-2H3,(H2,20,21,22)/b14-13+