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

Systemtic Name: 3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC(=CC=C2)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C14H17N3O3S/c1-3-7-17-13(19)15-16-14(17)21-9-12(18)10-5-4-6-11(8-10)20-2/h4-6,8H,3,7,9H2,1-2H3,(H,15,19)