2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)butanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-benzyl-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]butyramide Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(CC)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(CC)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H24N4O2S/c1-3-5-11-21-16(23)19-20-17(21)24-14(4-2)15(22)18-12-13-9-7-6-8-10-13/h6-10,14H,3-5,11-12H2,1-2H3,(H,18,22)(H,19,23)