2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide

Systemtic Name: 2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide Openeye Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide CAS Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[(tert-butylamino)-oxomethyl]propanamide IUPAC Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide Traditional Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(tert-butylcarbamoyl)propionamide Formula: C17H24N6O3S MolecularWeight: 392.47586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1N)C2=CC=CC=C2OC

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1N)C2=CC=CC=C2OC

InChI

InChI=1S/C17H24N6O3S/c1-10(14(24)19-15(25)20-17(2,3)4)27-16-22-21-13(23(16)18)11-8-6-7-9-12(11)26-5/h6-10H,18H2,1-5H3,(H2,19,20,24,25)