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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(3-nitrophenyl)-2-thiazolyl]butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]butyramide Formula: C23H23N7O3S2 MolecularWeight: 509.60382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N7O3S2/c1-2-19(29-21(24)27-28-23(29)34-12-11-15-7-4-3-5-8-15)20(31)26-22-25-18(14-35-22)16-9-6-10-17(13-16)30(32)33/h3-10,13-14,19H,2,11-12H2,1H3,(H2,24,27)(H,25,26,31)