3-methyl-5-methylsulfanyl-4-[2-[(3-phenylmethoxyphenyl)amino]pyrimidin-4-yl]thiophene-2-carbonitrile

Systemtic Name: 3-methyl-5-methylsulfanyl-4-[2-[(3-phenylmethoxyphenyl)amino]pyrimidin-4-yl]thiophene-2-carbonitrile Openeye Name: 4-[2-(3-benzyloxyanilino)pyrimidin-4-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carbonitrile CAS Name: 3-methyl-5-(methylthio)-4-[2-(3-phenylmethoxyanilino)-4-pyrimidinyl]-2-thiophenecarbonitrile IUPAC Name: 3-methyl-5-methylsulfanyl-4-[2-(3-phenylmethoxyanilino)pyrimidin-4-yl]thiophene-2-carbonitrile Traditional Name: 4-[2-(3-benzoxyanilino)pyrimidin-4-yl]-3-methyl-5-(methylthio)thiophene-2-carbonitrile Formula: C24H20N4OS2 MolecularWeight: 444.5718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)OCC4=CC=CC=C4)SC)C#N

Isomeric SMILES

CC1=C(SC(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)OCC4=CC=CC=C4)SC)C#N

InChI

InChI=1S/C24H20N4OS2/c1-16-21(14-25)31-23(30-2)22(16)20-11-12-26-24(28-20)27-18-9-6-10-19(13-18)29-15-17-7-4-3-5-8-17/h3-13H,15H2,1-2H3,(H,26,27,28)