2-azanyl-3-pyrimidin-2-yl-4-(2,4,6-trimethylphenyl)sulfanyl-benzenecarbonitrile

Systemtic Name: 2-azanyl-3-pyrimidin-2-yl-4-(2,4,6-trimethylphenyl)sulfanyl-benzenecarbonitrile Openeye Name: 2-amino-3-pyrimidin-2-yl-4-(2,4,6-trimethylphenyl)sulfanyl-benzonitrile CAS Name: 2-amino-3-(2-pyrimidinyl)-4-[(2,4,6-trimethylphenyl)thio]benzonitrile IUPAC Name: 2-amino-3-pyrimidin-2-yl-4-(2,4,6-trimethylphenyl)sulfanylbenzonitrile Traditional Name: 2-amino-4-(mesitylthio)-3-(2-pyrimidyl)benzonitrile Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC2=C(C(=C(C=C2)C#N)N)C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SC2=C(C(=C(C=C2)C#N)N)C3=NC=CC=N3)C

InChI

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