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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-4-28-16-9-7-8-15(12-16)20-24-25-21(26(20)22)29-13-19(27)23-18-11-6-5-10-17(18)14(2)3/h5-12,14H,4,13,22H2,1-3H3,(H,23,27)