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

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C21H22N4S3 MolecularWeight: 426.62118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)CC5=CC=CS5

InChI

InChI=1S/C21H22N4S3/c1-2-7-15(8-3-1)25-19(13-16-9-6-12-26-16)23-24-21(25)27-14-20-22-17-10-4-5-11-18(17)28-20/h4-6,9-12,15H,1-3,7-8,13-14H2