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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]butanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[4-(3-nitrophenyl)-2-thiazolyl]butanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]butyramide Formula: C16H17N7O3S2 MolecularWeight: 419.48128

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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=C3SC)N

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])N3C(=NN=C3SC)N

InChI

InChI=1S/C16H17N7O3S2/c1-3-12(22-14(17)20-21-16(22)27-2)13(24)19-15-18-11(8-28-15)9-5-4-6-10(7-9)23(25)26/h4-8,12H,3H2,1-2H3,(H2,17,20)(H,18,19,24)