2-azanyl-4-pyridin-3-yl-6-(2,4,6-trimethylphenyl)sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-pyridin-3-yl-6-(2,4,6-trimethylphenyl)sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(3-pyridyl)-6-(2,4,6-trimethylphenyl)sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(3-pyridinyl)-6-[(2,4,6-trimethylphenyl)thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-pyridin-3-yl-6-(2,4,6-trimethylphenyl)sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(mesitylthio)-4-(3-pyridyl)dinicotinonitrile Formula: C21H17N5S MolecularWeight: 371.45818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC2=C(C(=C(C(=N2)N)C#N)C3=CN=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SC2=C(C(=C(C(=N2)N)C#N)C3=CN=CC=C3)C#N)C

InChI

InChI=1S/C21H17N5S/c1-12-7-13(2)19(14(3)8-12)27-21-17(10-23)18(15-5-4-6-25-11-15)16(9-22)20(24)26-21/h4-8,11H,1-3H3,(H2,24,26)