2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C14H16N4O4S MolecularWeight: 336.36624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C(C)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C(C)O)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4S/c1-8-4-5-10(6-11(8)18(21)22)12(20)7-23-14-16-15-13(9(2)19)17(14)3/h4-6,9,19H,7H2,1-3H3