3-[2-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(5-chloro-3-methyl-benzothiophen-2-yl)-2-oxo-ethyl]sulfanyl-4-(2-furylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]thio]-4-(2-furanylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(5-chloro-3-methyl-benzothiophen-2-yl)-2-keto-ethyl]thio]-4-(2-furfuryl)-1H-1,2,4-triazol-5-one Formula: C18H14ClN3O3S2 MolecularWeight: 419.90506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)CSC3=NNC(=O)N3CC4=CC=CO4

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)CSC3=NNC(=O)N3CC4=CC=CO4

InChI

InChI=1S/C18H14ClN3O3S2/c1-10-13-7-11(19)4-5-15(13)27-16(10)14(23)9-26-18-21-20-17(24)22(18)8-12-3-2-6-25-12/h2-7H,8-9H2,1H3,(H,20,24)