3-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[4-oxo-4-(2-thienyl)butyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-oxo-4-thiophen-2-ylbutyl)thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(4-oxo-4-thiophen-2-ylbutyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[4-keto-4-(2-thienyl)butyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCCCC(=O)C2=CC=CS2

Isomeric SMILES

CCCN1C(=O)NN=C1SCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C13H17N3O2S2/c1-2-7-16-12(18)14-15-13(16)20-9-3-5-10(17)11-6-4-8-19-11/h4,6,8H,2-3,5,7,9H2,1H3,(H,14,18)