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

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C15H16N4O3S MolecularWeight: 332.37754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O3S/c1-9-3-4-11(7-12(9)19(21)22)13(20)8-23-15-17-16-14(18(15)2)10-5-6-10/h3-4,7,10H,5-6,8H2,1-2H3