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

Systemtic Name: 2-[[4-azanyl-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-m-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)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OCC

InChI

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