2-[[4-azanyl-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide CAS Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-butylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide Traditional Name: 2-[(4-amino-5-m-phenetyl-1,2,4-triazol-3-yl)thio]-N-(4-butylphenyl)acetamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OCC

InChI

InChI=1S/C22H27N5O2S/c1-3-5-7-16-10-12-18(13-11-16)24-20(28)15-30-22-26-25-21(27(22)23)17-8-6-9-19(14-17)29-4-2/h6,8-14H,3-5,7,15,23H2,1-2H3,(H,24,28)