2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-allyl-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-allyl-5-[(1,3-benzothiazol-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C20H23N5OS3 MolecularWeight: 445.62452

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCCCC2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCCCC2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N5OS3/c1-2-10-25-17(13-28-20-21-15-8-4-5-9-16(15)29-20)22-23-19(25)27-14-18(26)24-11-6-3-7-12-24/h2,4-5,8-9H,1,3,6-7,10-14H2