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

Systemtic Name: 3-[2-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(5-chloro-3-methyl-benzothiophen-2-yl)-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(5-chloro-3-methyl-benzothiophen-2-yl)-2-keto-ethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C16H14ClN3O2S2 MolecularWeight: 379.88426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)CSC3=NNC(=O)N3C4CC4

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)CSC3=NNC(=O)N3C4CC4

InChI

InChI=1S/C16H14ClN3O2S2/c1-8-11-6-9(17)2-5-13(11)24-14(8)12(21)7-23-16-19-18-15(22)20(16)10-3-4-10/h2,5-6,10H,3-4,7H2,1H3,(H,18,22)