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2-(azepan-1-ylmethylsulfanyl)-1,3-benzothiazole

2-(azepan-1-ylmethylsulfanyl)-1,3-benzothiazole

Systemtic Name:2-(azepan-1-ylmethylsulfanyl)-1,3-benzothiazole
Openeye Name:2-(azepan-1-ylmethylsulfanyl)-1,3-benzothiazole
CAS Name:2-(1-azepanylmethylthio)-1,3-benzothiazole
IUPAC Name:2-(azepan-1-ylmethylsulfanyl)-1,3-benzothiazole
Traditional Name:2-(azepan-1-ylmethylthio)-1,3-benzothiazole
Formula: C14H18N2S2
MolecularWeight: 278.43612
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CSC2=NC3=CC=CC=C3S2


Isomeric SMILES

C1CCCN(CC1)CSC2=NC3=CC=CC=C3S2


InChI

InChI=1S/C14H18N2S2/c1-2-6-10-16(9-5-1)11-17-14-15-12-7-3-4-8-13(12)18-14/h3-4,7-8H,1-2,5-6,9-11H2


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