2-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-butan-2-yl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-butan-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-butan-2-ylacetamide IUPAC Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-butan-2-ylacetamide Traditional Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C19H29N5O2S MolecularWeight: 391.53086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(C)NC(=O)CSC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H29N5O2S/c1-6-13(2)21-17(25)12-27-18-23-22-16(24(18)20)11-26-15-9-7-14(8-10-15)19(3,4)5/h7-10,13H,6,11-12,20H2,1-5H3,(H,21,25)