4-[[5-methyl-4-(2,4,6-trimethylphenyl)sulfanyl-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-methyl-4-(2,4,6-trimethylphenyl)sulfanyl-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-methyl-4-(2,4,6-trimethylphenyl)sulfanyl-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[5-methyl-4-[(2,4,6-trimethylphenyl)thio]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-methyl-4-(2,4,6-trimethylphenyl)sulfanylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(mesitylthio)-5-methyl-pyrimidin-2-yl]amino]benzonitrile Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC2=NC(=NC=C2C)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SC2=NC(=NC=C2C)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H20N4S/c1-13-9-14(2)19(15(3)10-13)26-20-16(4)12-23-21(25-20)24-18-7-5-17(11-22)6-8-18/h5-10,12H,1-4H3,(H,23,24,25)