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

Systemtic Name: 2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanophenyl)acetamide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C19H18N6O2S/c1-2-27-15-9-7-13(8-10-15)18-23-24-19(25(18)21)28-12-17(26)22-16-6-4-3-5-14(16)11-20/h3-10H,2,12,21H2,1H3,(H,22,26)