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

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]butanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-[4-(3-nitrophenyl)-2-thiazolyl]butanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]butyramide Formula: C17H19N7O3S2 MolecularWeight: 433.50786

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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=C3SCC)N

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])N3C(=NN=C3SCC)N

InChI

InChI=1S/C17H19N7O3S2/c1-3-13(23-15(18)21-22-17(23)28-4-2)14(25)20-16-19-12(9-29-16)10-6-5-7-11(8-10)24(26)27/h5-9,13H,3-4H2,1-2H3,(H2,18,21)(H,19,20,25)