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

Systemtic Name: 2-[[5-[[(2-methyl-5-nitro-phenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-[(2-methyl-5-nitro-anilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[(2-methyl-5-nitroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(2-methyl-5-nitroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-[(2-methyl-5-nitro-anilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H22N6O3S/c1-17-12-13-20(30(32)33)14-21(17)25-15-22-27-28-24(29(22)19-10-6-3-7-11-19)34-16-23(31)26-18-8-4-2-5-9-18/h2-14,25H,15-16H2,1H3,(H,26,31)