2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C1=NN=C(N1C)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H15N5O4S/c1-8(19)12-15-16-13(17(12)2)23-7-11(20)14-9-4-3-5-10(6-9)18(21)22/h3-6,8,19H,7H2,1-2H3,(H,14,20)