2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]ethanamide

Systemtic Name: 2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]ethanamide Openeye Name: 2-(4-methyl-2-oxo-pyrimido[1,2-b]indazol-6-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide CAS Name: 2-(4-methyl-2-oxo-6-pyrimido[1,2-b]indazolyl)-N-[2-[4-(methylthio)phenyl]ethyl]acetamide IUPAC Name: 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide Traditional Name: 2-(2-keto-4-methyl-pyrimid[1,2-b]indazol-6-yl)-N-[2-[4-(methylthio)phenyl]ethyl]acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCC4=CC=C(C=C4)SC

InChI

InChI=1S/C22H22N4O2S/c1-15-13-20(27)24-22-18-5-3-4-6-19(18)25(26(15)22)14-21(28)23-12-11-16-7-9-17(29-2)10-8-16/h3-10,13H,11-12,14H2,1-2H3,(H,23,28)