2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-[4-(3-nitrophenyl)thiazol-2-yl]propanamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-[4-(3-nitrophenyl)-2-thiazolyl]propanamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-[4-(3-nitrophenyl)thiazol-2-yl]propionamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3S2/c1-13(2)9-17-8-7-16(11-23)21(24-17)32-14(3)20(28)26-22-25-19(12-31-22)15-5-4-6-18(10-15)27(29)30/h4-8,10,12-14H,9H2,1-3H3,(H,25,26,28)