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

Systemtic Name: N-(tert-butylcarbamoyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N5O2S/c1-12(16(25)21-17(26)22-19(2,3)4)27-18-20-15(13-10-11-13)24(23-18)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H2,21,22,25,26)