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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

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