2-(1-phenylsulfanylcycloheptyl)benzotriazole

Systemtic Name: 2-(1-phenylsulfanylcycloheptyl)benzotriazole Openeye Name: 2-(1-phenylsulfanylcycloheptyl)benzotriazole CAS Name: 2-[1-(phenylthio)cycloheptyl]benzotriazole IUPAC Name: 2-(1-phenylsulfanylcycloheptyl)benzotriazole Traditional Name: 2-[1-(phenylthio)cycloheptyl]benzotriazole Formula: C19H21N3S MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(N2N=C3C=CC=CC3=N2)SC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)(N2N=C3C=CC=CC3=N2)SC4=CC=CC=C4

InChI

InChI=1S/C19H21N3S/c1-2-9-15-19(14-8-1,23-16-10-4-3-5-11-16)22-20-17-12-6-7-13-18(17)21-22/h3-7,10-13H,1-2,8-9,14-15H2