1-[2-[[4-(1H-imidazol-2-ylmethyl)phenyl]methylsulfanyl]ethyl]azepane

Systemtic Name: 1-[2-[[4-(1H-imidazol-2-ylmethyl)phenyl]methylsulfanyl]ethyl]azepane Openeye Name: 1-[2-[[4-(1H-imidazol-2-ylmethyl)phenyl]methylsulfanyl]ethyl]azepane CAS Name: 1-[2-[[4-(1H-imidazol-2-ylmethyl)phenyl]methylthio]ethyl]azepane IUPAC Name: 1-[2-[[4-(1H-imidazol-2-ylmethyl)phenyl]methylsulfanyl]ethyl]azepane Traditional Name: 1-[2-[[4-(1H-imidazol-2-ylmethyl)benzyl]thio]ethyl]azepane Formula: C19H27N3S MolecularWeight: 329.50278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCSCC2=CC=C(C=C2)CC3=NC=CN3

Isomeric SMILES

C1CCCN(CC1)CCSCC2=CC=C(C=C2)CC3=NC=CN3

InChI

InChI=1S/C19H27N3S/c1-2-4-12-22(11-3-1)13-14-23-16-18-7-5-17(6-8-18)15-19-20-9-10-21-19/h5-10H,1-4,11-16H2,(H,20,21)