2-[2-[5-methyl-2-[(3,4,5-trimethoxyphenyl)amino]imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[5-methyl-2-[(3,4,5-trimethoxyphenyl)amino]imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[5-methyl-2-(3,4,5-trimethoxyanilino)-7-imidazo[5,1-f][1,2,4]triazinyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]thio]benzonitrile Formula: C28H24N6O3S MolecularWeight: 524.59356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NC(=NN2C(=N1)C3=CC=CC=C3SC4=CC=CC=C4C#N)NC5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

CC1=C2C=NC(=NN2C(=N1)C3=CC=CC=C3SC4=CC=CC=C4C#N)NC5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C28H24N6O3S/c1-17-21-16-30-28(32-19-13-22(35-2)26(37-4)23(14-19)36-3)33-34(21)27(31-17)20-10-6-8-12-25(20)38-24-11-7-5-9-18(24)15-29/h5-14,16H,1-4H3,(H,32,33)