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

Systemtic Name: N-(butylcarbamoyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(butylcarbamoyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[butylamino(oxo)methyl]-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(butylcarbamoyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(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:

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

Isomeric SMILES

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

InChI

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