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

Systemtic Name: 2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-p-phenetyl-acetamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C20H23N5O3S/c1-3-27-16-9-5-14(6-10-16)19-23-24-20(25(19)21)29-13-18(26)22-15-7-11-17(12-8-15)28-4-2/h5-12H,3-4,13,21H2,1-2H3,(H,22,26)