2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-phenyl-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-phenyl-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-phenyl-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C22H23N5S2 MolecularWeight: 421.58152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SC3=NC4=CC=CC=C4S3)N5CCCCC5

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=CC=C2)SC3=NC4=CC=CC=C4S3)N5CCCCC5

InChI

InChI=1S/C22H23N5S2/c1-16(26-14-8-3-9-15-26)20-24-25-21(27(20)17-10-4-2-5-11-17)29-22-23-18-12-6-7-13-19(18)28-22/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3