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

Systemtic Name: 4-(furan-2-ylmethyl)-3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(2-furylmethyl)-3-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(2-furanylmethyl)-3-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(furan-2-ylmethyl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-(2-furfuryl)-3-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CO3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CO3

InChI

InChI=1S/C16H15N3O4S/c1-22-12-6-4-11(5-7-12)14(20)10-24-16-18-17-15(21)19(16)9-13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,21)