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

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-sec-butylphenyl)acetamide CAS Name: N-(2-butan-2-ylphenyl)-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-(2-sec-butylphenyl)acetamide Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H32N4O2S/c1-4-21(2)25-12-8-9-13-26(25)30-27(34)20-36-29-32-31-28(23-14-16-24(35-3)17-15-23)33(29)19-18-22-10-6-5-7-11-22/h5-17,21H,4,18-20H2,1-3H3,(H,30,34)