2-azanyl-3-[4-(2,4,6-trimethylphenyl)sulfanylpyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-[4-(2,4,6-trimethylphenyl)sulfanylpyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-amino-3-[4-(2,4,6-trimethylphenyl)sulfanylpyrimidin-2-yl]benzonitrile CAS Name: 2-amino-3-[4-[(2,4,6-trimethylphenyl)thio]-2-pyrimidinyl]benzonitrile IUPAC Name: 2-amino-3-[4-(2,4,6-trimethylphenyl)sulfanylpyrimidin-2-yl]benzonitrile Traditional Name: 2-amino-3-[4-(mesitylthio)pyrimidin-2-yl]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)C3=CC=CC(=C3N)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SC2=NC(=NC=C2)C3=CC=CC(=C3N)C#N)C

InChI

InChI=1S/C20H18N4S/c1-12-9-13(2)19(14(3)10-12)25-17-7-8-23-20(24-17)16-6-4-5-15(11-21)18(16)22/h4-10H,22H2,1-3H3