2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide

Systemtic Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide Openeye Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide Traditional Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)OCC)C3=CC=C(C=C3)N

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)OCC)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H25N5O2S/c1-4-26-19(15-6-8-16(22)9-7-15)24-25-21(26)29-14(3)20(27)23-17-10-12-18(13-11-17)28-5-2/h6-14H,4-5,22H2,1-3H3,(H,23,27)