2-[3-[[(4-chlorophenyl)amino]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[3-[[(4-chlorophenyl)amino]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[3-[(4-chloroanilino)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[3-[(4-chloroanilino)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[3-[(4-chloroanilino)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[3-[(4-chloroanilino)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide Formula: C26H26ClN5OS MolecularWeight: 492.03554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CN2C(=S)N(C(=N2)CNC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CN2C(=S)N(C(=N2)CNC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H26ClN5OS/c1-19(2)31(22-9-5-3-6-10-22)25(33)18-30-26(34)32(23-11-7-4-8-12-23)24(29-30)17-28-21-15-13-20(27)14-16-21/h3-16,19,28H,17-18H2,1-2H3