4-butyl-3-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(4-iodophenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(4-iodophenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(4-iodophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-(4-iodophenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C14H16IN3O2S MolecularWeight: 417.26521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C14H16IN3O2S/c1-2-3-8-18-13(20)16-17-14(18)21-9-12(19)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,16,20)