2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(3-nitrophenyl)-2-thiazolyl]propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]propionamide Formula: C22H21N7O3S2 MolecularWeight: 495.57724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C22H21N7O3S2/c1-14(28-20(23)26-27-22(28)33-11-10-15-6-3-2-4-7-15)19(30)25-21-24-18(13-34-21)16-8-5-9-17(12-16)29(31)32/h2-9,12-14H,10-11H2,1H3,(H2,23,26)(H,24,25,30)