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

Systemtic Name: 2-[[5-[[(2,4-dimethylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[[5-[(2,4-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[5-[(2,4-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[[5-[(2,4-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[[5-[(2,4-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-acetamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=C(C=C(C=C4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=C(C=C(C=C4)C)C

InChI

InChI=1S/C27H29N5O2S/c1-4-34-23-13-11-21(12-14-23)29-26(33)18-35-27-31-30-25(32(27)22-8-6-5-7-9-22)17-28-24-15-10-19(2)16-20(24)3/h5-16,28H,4,17-18H2,1-3H3,(H,29,33)