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

Systemtic Name: 3-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[4-oxo-4-(2-thienyl)butyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-oxo-4-thiophen-2-ylbutyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(4-oxo-4-thiophen-2-ylbutyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[4-keto-4-(2-thienyl)butyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H19N3O2S2/c22-15(16-9-5-12-24-16)8-4-13-25-18-20-19-17(23)21(18)11-10-14-6-2-1-3-7-14/h1-3,5-7,9,12H,4,8,10-11,13H2,(H,19,23)