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

Systemtic Name: N-aminocarbonyl-2-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-carbamoylpropanamide IUPAC Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide Traditional Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-carbamoyl-propionamide Formula: C17H24N6O3S MolecularWeight: 392.47586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C17H24N6O3S/c1-10(14(24)20-15(18)25)27-16-22-21-13(23(16)19)9-26-12-7-5-11(6-8-12)17(2,3)4/h5-8,10H,9,19H2,1-4H3,(H3,18,20,24,25)