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

Systemtic Name: 3-(6-methylpyrimidin-4-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 3-(6-methylpyrimidin-4-yl)sulfanyl-N-[4-(3-nitrophenyl)thiazol-2-yl]propanamide CAS Name: 3-[(6-methyl-4-pyrimidinyl)thio]-N-[4-(3-nitrophenyl)-2-thiazolyl]propanamide IUPAC Name: 3-(6-methylpyrimidin-4-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-[(6-methylpyrimidin-4-yl)thio]-N-[4-(3-nitrophenyl)thiazol-2-yl]propionamide Formula: C17H15N5O3S2 MolecularWeight: 401.4627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC=N1)SCCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S2/c1-11-7-16(19-10-18-11)26-6-5-15(23)21-17-20-14(9-27-17)12-3-2-4-13(8-12)22(24)25/h2-4,7-10H,5-6H2,1H3,(H,20,21,23)