N-(4-butan-2-ylphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-sec-butylphenyl)acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC

InChI

InChI=1S/C22H26N4O2S/c1-4-16(2)17-10-12-18(13-11-17)23-21(27)15-29-22-25-24-20(14-28-3)26(22)19-8-6-5-7-9-19/h5-13,16H,4,14-15H2,1-3H3,(H,23,27)