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

Systemtic Name: 4-butyl-3-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(2-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(2-methoxyphenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-keto-2-(2-methoxyphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C15H19N3O3S/c1-3-4-9-18-14(20)16-17-15(18)22-10-12(19)11-7-5-6-8-13(11)21-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,20)