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

Systemtic Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[4-(3-nitrophenyl)-2-thiazolyl]-3-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-3-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C22H17N5O3S2 MolecularWeight: 463.53208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)SCCC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)SCCC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O3S2/c28-20(9-10-31-21-12-18(23-14-24-21)15-5-2-1-3-6-15)26-22-25-19(13-32-22)16-7-4-8-17(11-16)27(29)30/h1-8,11-14H,9-10H2,(H,25,26,28)