2-[2-[[2-(3-methoxyphenyl)sulfanylquinazolin-4-yl]amino]-1H-imidazol-5-yl]ethanenitrile

Systemtic Name: 2-[2-[[2-(3-methoxyphenyl)sulfanylquinazolin-4-yl]amino]-1H-imidazol-5-yl]ethanenitrile Openeye Name: 2-[2-[[2-(3-methoxyphenyl)sulfanylquinazolin-4-yl]amino]-1H-imidazol-5-yl]acetonitrile CAS Name: 2-[2-[[2-[(3-methoxyphenyl)thio]-4-quinazolinyl]amino]-1H-imidazol-5-yl]acetonitrile IUPAC Name: 2-[2-[[2-(3-methoxyphenyl)sulfanylquinazolin-4-yl]amino]-1H-imidazol-5-yl]acetonitrile Traditional Name: 2-[2-[[2-[(3-methoxyphenyl)thio]quinazolin-4-yl]amino]-1H-imidazol-5-yl]acetonitrile Formula: C20H16N6OS MolecularWeight: 388.44564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NC=C(N4)CC#N

Isomeric SMILES

COC1=CC(=CC=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NC=C(N4)CC#N

InChI

InChI=1S/C20H16N6OS/c1-27-14-5-4-6-15(11-14)28-20-24-17-8-3-2-7-16(17)18(26-20)25-19-22-12-13(23-19)9-10-21/h2-8,11-12H,9H2,1H3,(H2,22,23,24,25,26)