N-[4-[[(5E)-4-azanyl-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-7-nitroso-1H-quinazolin-2-yl]sulfanyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(5E)-4-azanyl-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-7-nitroso-1H-quinazolin-2-yl]sulfanyl]phenyl]ethanamide Openeye Name: N-[4-[[(5E)-4-amino-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-7-nitroso-1H-quinazolin-2-yl]sulfanyl]phenyl]acetamide CAS Name: N-[4-[[(5E)-4-amino-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-7-nitroso-1H-quinazolin-2-yl]thio]phenyl]acetamide IUPAC Name: N-[4-[[(5E)-4-amino-5-(5-methyl-1,2-dihydropyrazol-3-ylidene)-7-nitroso-1H-quinazolin-2-yl]sulfanyl]phenyl]acetamide Traditional Name: N-[4-[[(5E)-4-amino-5-(5-methyl-3-pyrazolin-3-ylidene)-7-nitroso-1H-quinazolin-2-yl]thio]phenyl]acetamide Formula: C20H19N7O2S MolecularWeight: 421.47556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C=C3C2=C(N=C(N3)SC4=CC=C(C=C4)NC(=O)C)N)N=O)NN1

Isomeric SMILES

CC1=C/C(=C\2/C=C(C=C3C2=C(N=C(N3)SC4=CC=C(C=C4)NC(=O)C)N)N=O)/NN1

InChI

InChI=1S/C20H19N7O2S/c1-10-7-16(26-25-10)15-8-13(27-29)9-17-18(15)19(21)24-20(23-17)30-14-5-3-12(4-6-14)22-11(2)28/h3-9,25-26H,21H2,1-2H3,(H,22,28)(H,23,24)/b16-15+