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

Systemtic Name: 2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-(3-phenylpropyl)acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2S/c1-2-28-18-12-10-17(11-13-18)20-24-25-21(26(20)22)29-15-19(27)23-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,6,9,14-15,22H2,1H3,(H,23,27)