4-[[4-(2,4,6-trimethylphenyl)sulfanylpyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,4,6-trimethylphenyl)sulfanylpyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(2,4,6-trimethylphenyl)sulfanylpyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(2,4,6-trimethylphenyl)thio]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(2,4,6-trimethylphenyl)sulfanylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(mesitylthio)pyrimidin-2-yl]amino]benzonitrile Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H18N4S/c1-13-10-14(2)19(15(3)11-13)25-18-8-9-22-20(24-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H,22,23,24)