2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=CO5

InChI

InChI=1S/C20H20N4OS2/c1-2-7-14(8-3-1)24-19(16-10-6-12-25-16)22-23-20(24)26-13-18-21-15-9-4-5-11-17(15)27-18/h4-6,9-12,14H,1-3,7-8,13H2