N,N-diethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide

Systemtic Name: N,N-diethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: N,N-diethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: N,N-diethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: N,N-diethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N,N-diethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butyramide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)CCCSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C16H22N4OS/c1-3-20(4-2)14(21)11-8-12-22-16-17-15(18-19-16)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,18,19)