N-(butylcarbamoyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(butylcarbamoyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(butylcarbamoyl)acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(butylcarbamoyl)acetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(butylcarbamoyl)acetamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3

InChI

InChI=1S/C19H25N5O2S/c1-2-3-11-20-18(26)21-16(25)13-27-19-23-22-17(15-9-10-15)24(19)12-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3,(H2,20,21,25,26)