2-[[4-azanyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide

Systemtic Name: 2-[[4-azanyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: 2-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: 2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: 2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: 2-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C18H27N5O2S MolecularWeight: 377.50428

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCNC(=O)C(C)SC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C18H27N5O2S/c1-5-10-20-17(24)13(4)26-18-22-21-16(23(18)19)11-25-15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,5,10-11,19H2,1-4H3,(H,20,24)