2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-isopropyl-N-phenyl-acetamide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4OS/c1-19(2)30(23-13-9-6-10-14-23)25(32)18-33-27-29-28-26(22-11-7-5-8-12-22)31(27)24-17-20(3)15-16-21(24)4/h5-17,19H,18H2,1-4H3