2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C16H18N4S2 MolecularWeight: 330.47092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC2=NC(=NN2)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(C1)CC2=NC(=NN2)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H18N4S2/c1-2-6-11(5-1)9-14-18-16(20-19-14)21-10-15-17-12-7-3-4-8-13(12)22-15/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,18,19,20)