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

Systemtic Name: N-methyl-N-(4-nitrophenyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide CAS Name: N-methyl-N-(4-nitrophenyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-N-(4-nitrophenyl)acetamide Formula: C24H21N5O3S MolecularWeight: 459.52024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H21N5O3S/c1-27(19-12-14-21(15-13-19)29(31)32)23(30)17-33-24-26-25-22(16-18-8-4-2-5-9-18)28(24)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3