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

Systemtic Name: N-[4-[(5E)-4-azanyl-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-8-oxidanylidene-quinazolin-2-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[(5E)-4-amino-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-8-oxo-quinazolin-2-yl]sulfanylphenyl]acetamide CAS Name: N-[4-[[(5E)-4-amino-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-8-oxo-2-quinazolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[(5E)-4-amino-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-8-oxoquinazolin-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[(5E)-4-amino-8-keto-5-(5-methyl-3-pyrazolin-3-ylidene)quinazolin-2-yl]thio]phenyl]acetamide Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O2S/c1-10-9-15(26-25-10)14-7-8-16(28)18-17(14)19(21)24-20(23-18)29-13-5-3-12(4-6-13)22-11(2)27/h3-9,25-26H,1-2H3,(H,22,27)(H2,21,23,24)/b15-14+